[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanethiol

Systemtic Name: [5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanethiol Openeye Name: [5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanethiol CAS Name: [5-[(4-chlorophenyl)methylthio]-1-methyl-3-(trifluoromethyl)-4-pyrazolyl]methanethiol IUPAC Name: [5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanethiol Traditional Name: [5-[(4-chlorobenzyl)thio]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanethiol Formula: C13H12ClF3N2S2 MolecularWeight: 352.82599

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)CS)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)CS)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H12ClF3N2S2/c1-19-12(10(6-20)11(18-19)13(15,16)17)21-7-8-2-4-9(14)5-3-8/h2-5,20H,6-7H2,1H3