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

Systemtic Name: 4-[(4-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[[4-(ethylthio)phenyl]methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-[4-(ethylthio)benzyl]-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C13H13F3N2OS MolecularWeight: 302.31533

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

Isomeric SMILES

CCSC1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

InChI

InChI=1S/C13H13F3N2OS/c1-2-20-9-5-3-8(4-6-9)7-10-11(13(14,15)16)17-18-12(10)19/h3-6H,2,7H2,1H3,(H2,17,18,19)