(3R)-5-(4-bromophenyl)-N,3-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: (3R)-5-(4-bromophenyl)-N,3-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: (3R)-5-(4-bromophenyl)-N,3-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: (3R)-5-(4-bromophenyl)-N,3-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: (3R)-5-(4-bromophenyl)-N,3-bis(4-fluorophenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: (5R)-3-(4-bromophenyl)-N,5-bis(4-fluorophenyl)-2-pyrazoline-1-carbothioamide Formula: C22H16BrF2N3S MolecularWeight: 472.348346

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=S)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=C(C=C2)Br)C(=S)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16BrF2N3S/c23-16-5-1-14(2-6-16)20-13-21(15-3-7-17(24)8-4-15)28(27-20)22(29)26-19-11-9-18(25)10-12-19/h1-12,21H,13H2,(H,26,29)/t21-/m1/s1