4-[(4-methylsulfanylcyclohexa-2,4-dien-1-yl)methyl]-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 4-[(4-methylsulfanylcyclohexa-2,4-dien-1-yl)methyl]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 4-[(4-methylsulfanylcyclohexa-2,4-dien-1-yl)methyl]-5-(trifluoromethyl)pyrazol-3-one CAS Name: 4-[[4-(methylthio)-1-cyclohexa-2,4-dienyl]methyl]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 4-[(4-methylsulfanylcyclohexa-2,4-dien-1-yl)methyl]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 4-[[4-(methylthio)cyclohexa-2,4-dien-1-yl]methyl]-5-(trifluoromethyl)pyrazol-3-one Formula: C12H11F3N2OS MolecularWeight: 288.28875

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CCC(C=C1)CC2=C(N=NC2=O)C(F)(F)F

Isomeric SMILES

CSC1=CCC(C=C1)CC2=C(N=NC2=O)C(F)(F)F

InChI

InChI=1S/C12H11F3N2OS/c1-19-8-4-2-7(3-5-8)6-9-10(12(13,14)15)16-17-11(9)18/h2,4-5,7H,3,6H2,1H3