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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-nitro-4-(p-tolylthio)phenyl]acrylonitrile Formula: C23H16N4O2S MolecularWeight: 412.46374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O2S/c1-15-6-9-18(10-7-15)30-22-11-8-16(13-21(22)27(28)29)12-17(14-24)23-25-19-4-2-3-5-20(19)26-23/h2-13H,1H3,(H,25,26)/b17-12+