methyl 2-[[6-azanyl-3,5-dicyano-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-azanyl-3,5-dicyano-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]thio]acetic acid methyl ester Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=C2C=CC(=O)C=C2)C(=C(N1)N)C#N)C#N

Isomeric SMILES

COC(=O)CSC1=C(C(=C2C=CC(=O)C=C2)C(=C(N1)N)C#N)C#N

InChI

InChI=1S/C16H12N4O3S/c1-23-13(22)8-24-16-12(7-18)14(11(6-17)15(19)20-16)9-2-4-10(21)5-3-9/h2-5,20H,8,19H2,1H3