(2R)-4-(1H-benzimidazol-2-ylsulfanyl)-3-oxidanylidene-2-phenyl-butanenitrile

Systemtic Name: (2R)-4-(1H-benzimidazol-2-ylsulfanyl)-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: (2R)-4-(1H-benzimidazol-2-ylsulfanyl)-3-oxo-2-phenyl-butanenitrile CAS Name: (2R)-4-(1H-benzimidazol-2-ylthio)-3-oxo-2-phenylbutanenitrile IUPAC Name: (2R)-4-(1H-benzimidazol-2-ylsulfanyl)-3-oxo-2-phenylbutanenitrile Traditional Name: (2R)-4-(1H-benzimidazol-2-ylthio)-3-keto-2-phenyl-butyronitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C#N)C(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H13N3OS/c18-10-13(12-6-2-1-3-7-12)16(21)11-22-17-19-14-8-4-5-9-15(14)20-17/h1-9,13H,11H2,(H,19,20)/t13-/m0/s1