methyl 2-(carbamimidoylsulfanylmethyl)-5-cyano-6-oxidanylidene-4-phenyl-1H-pyridine-3-carboxylate

Systemtic Name: methyl 2-(carbamimidoylsulfanylmethyl)-5-cyano-6-oxidanylidene-4-phenyl-1H-pyridine-3-carboxylate Openeye Name: methyl 2-(carbamimidoylsulfanylmethyl)-5-cyano-6-oxo-4-phenyl-1H-pyridine-3-carboxylate CAS Name: 2-[(carbamimidoylthio)methyl]-5-cyano-6-oxo-4-phenyl-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(carbamimidoylsulfanylmethyl)-5-cyano-6-oxo-4-phenyl-1H-pyridine-3-carboxylate Traditional Name: 2-[(amidinothio)methyl]-5-cyano-6-keto-4-phenyl-1H-pyridine-3-carboxylic acid methyl ester Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)C(=C1C2=CC=CC=C2)C#N)CSC(=N)N

Isomeric SMILES

COC(=O)C1=C(NC(=O)C(=C1C2=CC=CC=C2)C#N)CSC(=N)N

InChI

InChI=1S/C16H14N4O3S/c1-23-15(22)13-11(8-24-16(18)19)20-14(21)10(7-17)12(13)9-5-3-2-4-6-9/h2-6H,8H2,1H3,(H3,18,19)(H,20,21)