(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-phenacylsulfanyl-imidazol-4-one

Systemtic Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-phenacylsulfanyl-imidazol-4-one Openeye Name: (5E)-5-(1,3-benzodioxol-5-ylmethylene)-2-phenacylsulfanyl-3-(p-tolyl)imidazol-4-one CAS Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-(phenacylthio)-4-imidazolone IUPAC Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-phenacylsulfanylimidazol-4-one Traditional Name: (5E)-2-(phenacylthio)-5-piperonylidene-3-(p-tolyl)-2-imidazolin-4-one Formula: C26H20N2O4S MolecularWeight: 456.513

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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=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H20N2O4S/c1-17-7-10-20(11-8-17)28-25(30)21(13-18-9-12-23-24(14-18)32-16-31-23)27-26(28)33-15-22(29)19-5-3-2-4-6-19/h2-14H,15-16H2,1H3/b21-13+