2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanenitrile

Systemtic Name: 2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanenitrile Openeye Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)acetonitrile CAS Name: 2-[2-(phenylmethylthio)-1-benzimidazolyl]acetonitrile IUPAC Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)acetonitrile Traditional Name: 2-[2-(benzylthio)benzimidazol-1-yl]acetonitrile Formula: C16H13N3S MolecularWeight: 279.35952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CC#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CC#N

InChI

InChI=1S/C16H13N3S/c17-10-11-19-15-9-5-4-8-14(15)18-16(19)20-12-13-6-2-1-3-7-13/h1-9H,11-12H2