5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-bromophenyl)-3-(1,3-diphenyl-4-pyrazolyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-bromophenyl)-5-(1,3-diphenylpyrazol-4-yl)-N-phenyl-2-pyrazoline-1-carbothioamide Formula: C31H24BrN5S MolecularWeight: 578.52476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=S)NC3=CC=CC=C3)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=S)NC3=CC=CC=C3)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H24BrN5S/c32-24-18-16-22(17-19-24)28-20-29(37(34-28)31(38)33-25-12-6-2-7-13-25)27-21-36(26-14-8-3-9-15-26)35-30(27)23-10-4-1-5-11-23/h1-19,21,29H,20H2,(H,33,38)