(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-N-(phenylmethyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: (3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-N-(phenylmethyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: (3R)-N-benzyl-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: (3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-N-(phenylmethyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: (3R)-N-benzyl-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: (5R)-N-benzyl-3-(4-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazoline-1-carbothioamide Formula: C24H22BrN3OS MolecularWeight: 480.41998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=S)NCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=S)NCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3OS/c1-29-21-13-9-19(10-14-21)23-15-22(18-7-11-20(25)12-8-18)27-28(23)24(30)26-16-17-5-3-2-4-6-17/h2-14,23H,15-16H2,1H3,(H,26,30)/t23-/m1/s1