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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylidene)-2-[(4-tert-butylphenyl)methylsulfanyl]-3-(4-methylphenyl)imidazol-4-one Openeye Name: 5-(1,3-benzodioxol-5-ylmethylene)-2-[(4-tert-butylphenyl)methylsulfanyl]-3-(p-tolyl)imidazol-4-one CAS Name: 5-(1,3-benzodioxol-5-ylmethylidene)-2-[(4-tert-butylphenyl)methylthio]-3-(4-methylphenyl)-4-imidazolone IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylidene)-2-[(4-tert-butylphenyl)methylsulfanyl]-3-(4-methylphenyl)imidazol-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-5-piperonylidene-3-(p-tolyl)-2-imidazolin-4-one Formula: C29H28N2O3S MolecularWeight: 484.60922

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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=C(C=C5)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O3S/c1-19-5-12-23(13-6-19)31-27(32)24(15-21-9-14-25-26(16-21)34-18-33-25)30-28(31)35-17-20-7-10-22(11-8-20)29(2,3)4/h5-16H,17-18H2,1-4H3