dithianon

CHEBI:81842 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A naphthodithiin that is 5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiin which is substituted by nitrile groups at positions 2 and 3. It is a broad spectrum fungicide used to control scab, downy mildew, rust, and leaf spot in the commercial growing of grapes and other fruit, citrus, coffee, and vegetables. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:25830 CHEBI:25830
CHEBI:51308 CHEBI:51308
CHEBI:82826 CHEBI:82826

Chemical structure

Computed structure properties
Molecular formula	C14H4N2O2S2
Charge	0
Average mass	296.332 Da
Monoisotopic mass	295.97142 Da
Source	ChEBI
InChIKey	PYZSVQVRHDXQSL-UHFFFAOYSA-N

SMILES

N#Cc1sc2c(=O)c3ccccc3c(=O)c=2sc1C#N

InChI

InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H

Also called

Delan (BRAND_NAME)— chebi
5,10-dioxo-5,10-dihydronaphtho[2,3-b][1,4]dithiin-2,3-dicarbonitrile (EXACT_SYNONYM)— chebi
1,4-dithiaanthraquinone-2,3-dinitrile (EXACT_SYNONYM)— chebi
2,3-Dicarbonitrilo-1,4-diathiaanthrachinon (EXACT_SYNONYM)— chebi
2,3-dicyano-1,4-dithia-anthraquinone (EXACT_SYNONYM)— chebi
2,3-dinitrilo-1,4-dithia-9,10-anthraquinone (EXACT_SYNONYM)— chebi
2,3-dinitrilo-1,4-dithia-anthraquinone (EXACT_SYNONYM)— chebi
5,10-dihydro-5,10-dioxonaphtho[2,3-b]-1,4-dithiin-2,3-dicarbonitrile (EXACT_SYNONYM)— chebi
dithianone (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:3347-22-6
hmdb:HMDB0031780
kegg.compound:C18574
patent:US2976296
pesticides:dithianon
ppdb:258
reaxys:1325563

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:86328 CHEBI:86328

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:81842`	dithianon	`antibioticmech:chebi-7c5ced5cc2`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.