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

Systemtic Name: 3-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylpropanenitrile Openeye Name: 3-[1-(p-tolyl)benzimidazol-2-yl]sulfanylpropanenitrile CAS Name: 3-[[1-(4-methylphenyl)-2-benzimidazolyl]thio]propanenitrile IUPAC Name: 3-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[1-(p-tolyl)benzimidazol-2-yl]thio]propionitrile Formula: C17H15N3S MolecularWeight: 293.3861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCCC#N

InChI

InChI=1S/C17H15N3S/c1-13-7-9-14(10-8-13)20-16-6-3-2-5-15(16)19-17(20)21-12-4-11-18/h2-3,5-10H,4,12H2,1H3