2-[1-(4-methylphenyl)carbonylbenzimidazol-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[1-(4-methylphenyl)carbonylbenzimidazol-2-yl]sulfanylethanenitrile Openeye Name: 2-[1-(4-methylbenzoyl)benzimidazol-2-yl]sulfanylacetonitrile CAS Name: 2-[[1-[(4-methylphenyl)-oxomethyl]-2-benzimidazolyl]thio]acetonitrile IUPAC Name: 2-[1-(4-methylbenzoyl)benzimidazol-2-yl]sulfanylacetonitrile Traditional Name: 2-[(1-p-toluoylbenzimidazol-2-yl)thio]acetonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C17H13N3OS/c1-12-6-8-13(9-7-12)16(21)20-15-5-3-2-4-14(15)19-17(20)22-11-10-18/h2-9H,11H2,1H3