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

Systemtic Name: (3S)-3-(4-bromophenyl)-N-methyl-5-phenyl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-3-(4-bromophenyl)-N-methyl-5-phenyl-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-3-(4-bromophenyl)-N-methyl-5-phenyl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-3-(4-bromophenyl)-N-methyl-5-phenyl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-5-(4-bromophenyl)-N-methyl-3-phenyl-3-pyrazoline-1-carbothioamide Formula: C17H16BrN3S MolecularWeight: 374.29804

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(C=C(N1)C2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CNC(=S)N1[C@@H](C=C(N1)C2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3S/c1-19-17(22)21-16(13-7-9-14(18)10-8-13)11-15(20-21)12-5-3-2-4-6-12/h2-11,16,20H,1H3,(H,19,22)/t16-/m0/s1