4-butyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxidanyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-butyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxidanyl-2-phenyl-pyrazol-3-one Openeye Name: 4-butyl-5-hydroxy-2-phenyl-1-[4-(p-tolyl)thiazol-2-yl]pyrazol-3-one CAS Name: 4-butyl-5-hydroxy-1-[4-(4-methylphenyl)-2-thiazolyl]-2-phenyl-3-pyrazolone IUPAC Name: 4-butyl-5-hydroxy-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylpyrazol-3-one Traditional Name: 4-butyl-5-hydroxy-2-phenyl-1-[4-(p-tolyl)thiazol-2-yl]-3-pyrazolin-3-one Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)C)O

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)C)O

InChI

InChI=1S/C23H23N3O2S/c1-3-4-10-19-21(27)25(18-8-6-5-7-9-18)26(22(19)28)23-24-20(15-29-23)17-13-11-16(2)12-14-17/h5-9,11-15,28H,3-4,10H2,1-2H3