ethyl 6-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 6-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 6-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-2-oxo-1H-pyridine-3-carboxylate CAS Name: 6-(1H-benzimidazol-2-ylmethylthio)-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1H-benzimidazol-2-ylmethylsulfanyl)-5-cyano-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-(1H-benzimidazol-2-ylmethylthio)-5-cyano-2-keto-1H-pyridine-3-carboxylic acid ethyl ester Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(NC1=O)SCC2=NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C(NC1=O)SCC2=NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C17H14N4O3S/c1-2-24-17(23)11-7-10(8-18)16(21-15(11)22)25-9-14-19-12-5-3-4-6-13(12)20-14/h3-7H,2,9H2,1H3,(H,19,20)(H,21,22)