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

Systemtic Name: (3S)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-3-(4-bromophenyl)-5-(4-dimethylaminophenyl)-N-methyl-3-pyrazoline-1-carbothioamide Formula: C19H21BrN4S MolecularWeight: 417.36584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4S/c1-21-19(25)24-18(14-6-10-16(11-7-14)23(2)3)12-17(22-24)13-4-8-15(20)9-5-13/h4-12,18,22H,1-3H3,(H,21,25)/t18-/m0/s1