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

Systemtic Name: (3S)-5-(4-bromophenyl)-3-(2-fluorophenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-5-(4-bromophenyl)-3-(2-fluorophenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-5-(4-bromophenyl)-3-(2-fluorophenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-5-(4-bromophenyl)-3-(2-fluorophenyl)-N-methyl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-3-(4-bromophenyl)-5-(2-fluorophenyl)-N-methyl-3-pyrazoline-1-carbothioamide Formula: C17H15BrFN3S MolecularWeight: 392.288503

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(C=C(N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3F

Isomeric SMILES

CNC(=S)N1[C@@H](C=C(N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3F

InChI

InChI=1S/C17H15BrFN3S/c1-20-17(23)22-16(13-4-2-3-5-14(13)19)10-15(21-22)11-6-8-12(18)9-7-11/h2-10,16,21H,1H3,(H,20,23)/t16-/m0/s1