2-[(2-chlorophenyl)methylsulfanyl]-1-[5-oxidanyl-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-1-[5-oxidanyl-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-1-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone CAS Name: 2-[(2-chlorophenyl)methylthio]-1-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-1-[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Traditional Name: 2-[(2-chlorobenzyl)thio]-1-[5-hydroxy-3-propyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]ethanone Formula: C16H18ClF3N2O2S MolecularWeight: 394.83953

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CSCC2=CC=CC=C2Cl

Isomeric SMILES

CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CSCC2=CC=CC=C2Cl

InChI

InChI=1S/C16H18ClF3N2O2S/c1-2-5-12-8-15(24,16(18,19)20)22(21-12)14(23)10-25-9-11-6-3-4-7-13(11)17/h3-4,6-7,24H,2,5,8-10H2,1H3