2-methyl-4-[(4-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one

Systemtic Name: 2-methyl-4-[(4-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 2-methyl-4-[(4-methyl-2-thienyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 2-methyl-4-[(4-methyl-2-thiophenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 2-methyl-4-[(4-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-methyl-4-[(4-methyl-2-thienyl)methyl]-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C11H11F3N2OS MolecularWeight: 276.27805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)CC2=C(NN(C2=O)C)C(F)(F)F

Isomeric SMILES

CC1=CSC(=C1)CC2=C(NN(C2=O)C)C(F)(F)F

InChI

InChI=1S/C11H11F3N2OS/c1-6-3-7(18-5-6)4-8-9(11(12,13)14)15-16(2)10(8)17/h3,5,15H,4H2,1-2H3