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

Systemtic Name: 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylethanenitrile Openeye Name: 2-[1-(p-tolyl)benzimidazol-2-yl]sulfanylacetonitrile CAS Name: 2-[[1-(4-methylphenyl)-2-benzimidazolyl]thio]acetonitrile IUPAC Name: 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(p-tolyl)benzimidazol-2-yl]thio]acetonitrile Formula: C16H13N3S MolecularWeight: 279.35952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3S/c1-12-6-8-13(9-7-12)19-15-5-3-2-4-14(15)18-16(19)20-11-10-17/h2-9H,11H2,1H3