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

Systemtic Name: (3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-N-methyl-3-pyrazoline-1-carbothioamide Formula: C18H18BrN3OS MolecularWeight: 404.32402

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3OS/c1-20-18(24)22-17(13-5-9-15(23-2)10-6-13)11-16(21-22)12-3-7-14(19)8-4-12/h3-11,17,21H,1-2H3,(H,20,24)/t17-/m0/s1