2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridine-3-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridine-3-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridine-3-carbonitrile Formula: C16H10N4O2S2 MolecularWeight: 354.4062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=C(C4=C(S3)C(=O)C=C(N4)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=C(C4=C(S3)C(=O)C=C(N4)O)C#N

InChI

InChI=1S/C16H10N4O2S2/c17-6-8-14-15(11(21)5-13(22)20-14)24-16(8)23-7-12-18-9-3-1-2-4-10(9)19-12/h1-5H,7H2,(H,18,19)(H2,20,21,22)