4-[4-(1,3-benzodioxol-5-yl)-5-(4-butan-2-ylphenyl)carbonyl-1,3-thiazol-2-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[4-(1,3-benzodioxol-5-yl)-5-(4-butan-2-ylphenyl)carbonyl-1,3-thiazol-2-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[4-(1,3-benzodioxol-5-yl)-5-(4-sec-butylbenzoyl)thiazol-2-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[4-(1,3-benzodioxol-5-yl)-5-[(4-butan-2-ylphenyl)-oxomethyl]-2-thiazolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)-5-(4-butan-2-ylbenzoyl)-1,3-thiazol-2-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[4-(1,3-benzodioxol-5-yl)-5-(4-sec-butylbenzoyl)thiazol-2-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C32H29N3O4S MolecularWeight: 551.65536

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)C2=C(N=C(S2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)C2=C(N=C(S2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H29N3O4S/c1-5-19(2)21-11-13-22(14-12-21)29(36)30-28(23-15-16-25-26(17-23)39-18-38-25)33-31(40-30)27-20(3)34(4)35(32(27)37)24-9-7-6-8-10-24/h6-17,19H,5,18H2,1-4H3