(5E)-2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)imidazol-4-one

Systemtic Name: (5E)-2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)imidazol-4-one Openeye Name: (5E)-2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-benzodioxol-5-ylmethylene)-3-(p-tolyl)imidazol-4-one CAS Name: (5E)-2-(1H-benzimidazol-2-ylmethylthio)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-4-imidazolone IUPAC Name: (5E)-2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)imidazol-4-one Traditional Name: (5E)-2-(1H-benzimidazol-2-ylmethylthio)-5-piperonylidene-3-(p-tolyl)-2-imidazolin-4-one Formula: C26H20N4O3S MolecularWeight: 468.527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/N=C2SCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C26H20N4O3S/c1-16-6-9-18(10-7-16)30-25(31)21(12-17-8-11-22-23(13-17)33-15-32-22)29-26(30)34-14-24-27-19-4-2-3-5-20(19)28-24/h2-13H,14-15H2,1H3,(H,27,28)/b21-12+