(5R)-3-(4-methylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide

Systemtic Name: (5R)-3-(4-methylphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide Openeye Name: (5R)-5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide CAS Name: (5R)-5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide IUPAC Name: (5R)-5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide Traditional Name: (5R)-5-hydroxy-3-(p-tolyl)-5-(trifluoromethyl)-2-pyrazoline-1-carbothioamide Formula: C12H12F3N3OS MolecularWeight: 303.30339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=S)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@@](C2)(C(F)(F)F)O)C(=S)N

InChI

InChI=1S/C12H12F3N3OS/c1-7-2-4-8(5-3-7)9-6-11(19,12(13,14)15)18(17-9)10(16)20/h2-5,19H,6H2,1H3,(H2,16,20)/t11-/m1/s1