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

Systemtic Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-prop-2-enylsulfanyl-imidazol-4-one Openeye Name: (5E)-2-allylsulfanyl-5-(1,3-benzodioxol-5-ylmethylene)-3-(p-tolyl)imidazol-4-one CAS Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-(prop-2-enylthio)-4-imidazolone IUPAC Name: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-prop-2-enylsulfanylimidazol-4-one Traditional Name: (5E)-2-(allylthio)-5-piperonylidene-3-(p-tolyl)-2-imidazolin-4-one Formula: C21H18N2O3S MolecularWeight: 378.44422

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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=C

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S/c1-3-10-27-21-22-17(11-15-6-9-18-19(12-15)26-13-25-18)20(24)23(21)16-7-4-14(2)5-8-16/h3-9,11-12H,1,10,13H2,2H3/b17-11+