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

Systemtic Name: 3-(4-fluorophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide Openeye Name: 3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide CAS Name: 3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide IUPAC Name: 3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carbothioamide Traditional Name: 3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazoline-1-carbothioamide Formula: C11H9F4N3OS MolecularWeight: 307.267273

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=S)N)C2=CC=C(C=C2)F

Isomeric SMILES

C1C(=NN(C1(C(F)(F)F)O)C(=S)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C11H9F4N3OS/c12-7-3-1-6(2-4-7)8-5-10(19,11(13,14)15)18(17-8)9(16)20/h1-4,19H,5H2,(H2,16,20)