methyl 4-(2-azanyl-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzoate Openeye Name: methyl 4-(2-amino-3,5-dicyano-6-thioxo-1H-pyridin-4-yl)benzoate CAS Name: 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzoate Traditional Name: 4-(2-amino-3,5-dicyano-6-thioxo-1H-pyridin-4-yl)benzoic acid methyl ester Formula: C15H10N4O2S MolecularWeight: 310.3305

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N

InChI

InChI=1S/C15H10N4O2S/c1-21-15(20)9-4-2-8(3-5-9)12-10(6-16)13(18)19-14(22)11(12)7-17/h2-5H,1H3,(H3,18,19,22)