(3S)-3-(4-bromophenyl)-N,5-diphenyl-1,3-dihydropyrazole-2-carbothioamide

Systemtic Name: (3S)-3-(4-bromophenyl)-N,5-diphenyl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-3-(4-bromophenyl)-N,5-diphenyl-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-3-(4-bromophenyl)-N,5-diphenyl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-3-(4-bromophenyl)-N,5-diphenyl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-5-(4-bromophenyl)-N,3-diphenyl-3-pyrazoline-1-carbothioamide Formula: C22H18BrN3S MolecularWeight: 436.36742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(N(N2)C(=S)NC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=C[C@H](N(N2)C(=S)NC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3S/c23-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)25-26(21)22(27)24-19-9-5-2-6-10-19/h1-15,21,25H,(H,24,27)/t21-/m0/s1