(E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methylphenyl)sulfanylphenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methylphenyl)sulfanylphenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(p-tolylsulfanyl)phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-[(4-methylphenyl)thio]phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methylphenyl)sulfanylphenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(p-tolylthio)phenyl]acrylonitrile Formula: C23H17N3S MolecularWeight: 367.46618

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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=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H17N3S/c1-16-6-10-19(11-7-16)27-20-12-8-17(9-13-20)14-18(15-24)23-25-21-4-2-3-5-22(21)26-23/h2-14H,1H3,(H,25,26)/b18-14+