5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]imidazol-4-one

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]imidazol-4-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethylene)-2-[(3-nitrophenyl)methylsulfanyl]-3-(p-tolyl)imidazol-4-one CAS Name: 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[(3-nitrophenyl)methylthio]-4-imidazolone IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]imidazol-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-5-piperonylidene-3-(p-tolyl)-2-imidazolin-4-one Formula: C25H19N3O5S MolecularWeight: 473.50046

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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=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O5S/c1-16-5-8-19(9-6-16)27-24(29)21(12-17-7-10-22-23(13-17)33-15-32-22)26-25(27)34-14-18-3-2-4-20(11-18)28(30)31/h2-13H,14-15H2,1H3