3-[2-[2-(4-methylphenyl)sulfonylethyl]benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[2-(4-methylphenyl)sulfonylethyl]benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-(p-tolylsulfonyl)ethyl]benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[2-(4-methylphenyl)sulfonylethyl]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[2-(4-methylphenyl)sulfonylethyl]benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-(2-tosylethyl)benzimidazol-1-yl]propionitrile Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C19H19N3O2S/c1-15-7-9-16(10-8-15)25(23,24)14-11-19-21-17-5-2-3-6-18(17)22(19)13-4-12-20/h2-3,5-10H,4,11,13-14H2,1H3