(3R)-5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: (3R)-5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: (3R)-5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: (3R)-5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: (3R)-5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: (5R)-3-(4-bromophenyl)-5-(2,5-dimethoxyphenyl)-N-phenyl-2-pyrazoline-1-carbothioamide Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3O2S/c1-29-19-12-13-23(30-2)20(14-19)22-15-21(16-8-10-17(25)11-9-16)27-28(22)24(31)26-18-6-4-3-5-7-18/h3-14,22H,15H2,1-2H3,(H,26,31)/t22-/m1/s1