2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(4-methylphenyl)sulfanylphenyl]prop-2-enenitrile

Systemtic Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(4-methylphenyl)sulfanylphenyl]prop-2-enenitrile Openeye Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(p-tolylsulfanyl)phenyl]prop-2-enenitrile CAS Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-[(4-methylphenyl)thio]phenyl]-2-propenenitrile IUPAC Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(4-methylphenyl)sulfanylphenyl]prop-2-enenitrile Traditional Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(p-tolylthio)phenyl]acrylonitrile Formula: C25H21N3S MolecularWeight: 395.51934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)C=C(C#N)C3=NC4=C(N3)C=C(C(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)C=C(C#N)C3=NC4=C(N3)C=C(C(=C4)C)C

InChI

InChI=1S/C25H21N3S/c1-16-4-8-21(9-5-16)29-22-10-6-19(7-11-22)14-20(15-26)25-27-23-12-17(2)18(3)13-24(23)28-25/h4-14H,1-3H3,(H,27,28)