4-[(4-propan-2-ylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(4-propan-2-ylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-isopropylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[[4-(propan-2-ylthio)phenyl]methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-propan-2-ylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-[4-(isopropylthio)benzyl]-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C14H15F3N2OS MolecularWeight: 316.34191

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

InChI

InChI=1S/C14H15F3N2OS/c1-8(2)21-10-5-3-9(4-6-10)7-11-12(14(15,16)17)18-19-13(11)20/h3-6,8H,7H2,1-2H3,(H2,18,19,20)