(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-(2-oxidanylidenepropylsulfanyl)imidazol-4-one

Systemtic Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-(2-oxidanylidenepropylsulfanyl)imidazol-4-one Openeye Name: (5Z)-2-acetonylsulfanyl-5-(1,3-benzodioxol-5-ylmethylene)-3-(p-tolyl)imidazol-4-one CAS Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-(2-oxopropylthio)-4-imidazolone IUPAC Name: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)imidazol-4-one Traditional Name: (5Z)-2-(acetonylthio)-5-piperonylidene-3-(p-tolyl)-2-imidazolin-4-one Formula: C21H18N2O4S MolecularWeight: 394.44362

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-13-3-6-16(7-4-13)23-20(25)17(22-21(23)28-11-14(2)24)9-15-5-8-18-19(10-15)27-12-26-18/h3-10H,11-12H2,1-2H3/b17-9-