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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-propylsulfanyl-imidazol-4-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethylene)-2-propylsulfanyl-3-(p-tolyl)imidazol-4-one CAS Name: 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-(propylthio)-4-imidazolone IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-propylsulfanylimidazol-4-one Traditional Name: 5-piperonylidene-2-(propylthio)-3-(p-tolyl)-2-imidazolin-4-one Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=CC2=CC3=C(C=C2)OCO3)C(=O)N1C4=CC=C(C=C4)C

Isomeric SMILES

CCCSC1=NC(=CC2=CC3=C(C=C2)OCO3)C(=O)N1C4=CC=C(C=C4)C

InChI

InChI=1S/C21H20N2O3S/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/h4-9,11-12H,3,10,13H2,1-2H3