(2R,5S)-2-(4-bromophenyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one

Systemtic Name: (2R,5S)-2-(4-bromophenyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one Openeye Name: (2R,5S)-2-(4-bromophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-methyl-thiazolidin-4-one CAS Name: (2R,5S)-2-(4-bromophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-methyl-4-thiazolidinone IUPAC Name: (2R,5S)-2-(4-bromophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1,3-thiazolidin-4-one Traditional Name: (2R,5S)-2-(4-bromophenyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-methyl-thiazolidin-4-one Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(S1)C2=CC=C(C=C2)Br)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

C[C@H]1C(=O)N([C@H](S1)C2=CC=C(C=C2)Br)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C21H20BrN3O2S/c1-13-18(20(27)25(23(13)3)17-7-5-4-6-8-17)24-19(26)14(2)28-21(24)15-9-11-16(22)12-10-15/h4-12,14,21H,1-3H3/t14-,21+/m0/s1