5-[(E)-4-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-2-methylsulfanyl-4-oxidanylidene-but-2-enyl]-1-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 5-[(E)-4-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-2-methylsulfanyl-4-oxidanylidene-but-2-enyl]-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 5-[(E)-4-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-2-methylsulfanyl-4-oxo-but-2-enyl]-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 5-[(E)-4-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-2-(methylthio)-4-oxobut-2-enyl]-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 5-[(E)-4-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-2-methylsulfanyl-4-oxobut-2-enyl]-1-methyl-2-phenylpyrazol-3-one Traditional Name: 5-[(E)-4-keto-4-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-2-(methylthio)but-2-enyl]-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N1C2=CC=CC=C2)CC(=CC(=O)C3CC3C4=CC=C(C=C4)OC)SC

Isomeric SMILES

CN1C(=CC(=O)N1C2=CC=CC=C2)C/C(=C\C(=O)[C@H]3C[C@@H]3C4=CC=C(C=C4)OC)/SC

InChI

InChI=1S/C25H26N2O3S/c1-26-19(14-25(29)27(26)18-7-5-4-6-8-18)13-21(31-3)15-24(28)23-16-22(23)17-9-11-20(30-2)12-10-17/h4-12,14-15,22-23H,13,16H2,1-3H3/b21-15+/t22-,23+/m1/s1