ethyl 4-azanyl-5-oxidanylidene-6-(2-thiophen-2-ylethenylidene)-1,2,4-triazin-4-ium-3-carboxylate

Systemtic Name: ethyl 4-azanyl-5-oxidanylidene-6-(2-thiophen-2-ylethenylidene)-1,2,4-triazin-4-ium-3-carboxylate Openeye Name: ethyl 4-amino-5-oxo-6-[2-(2-thienyl)ethenylidene]-1,2,4-triazin-4-ium-3-carboxylate CAS Name: 4-amino-5-oxo-6-(2-thiophen-2-ylethenylidene)-1,2,4-triazin-4-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-oxo-6-(2-thiophen-2-ylethenylidene)-1,2,4-triazin-4-ium-3-carboxylate Traditional Name: 4-amino-5-keto-6-[2-(2-thienyl)ethenylidene]-1,2,4-triazin-4-ium-3-carboxylic acid ethyl ester Formula: C12H11N4O3S+ MolecularWeight: 291.30574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C(=O)C(=C=CC2=CC=CS2)N=N1)N

Isomeric SMILES

CCOC(=O)C1=[N+](C(=O)C(=C=CC2=CC=CS2)N=N1)N

InChI

InChI=1S/C12H10N4O3S/c1-2-19-12(18)10-15-14-9(11(17)16(10)13)6-5-8-4-3-7-20-8/h3-5,7H,2H2,1H3,(H-,13,14,18)/p+1