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

Systemtic Name: 4-[(4-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-methyl-2-thienyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(4-methyl-2-thiophenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-[(4-methyl-2-thienyl)methyl]-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C10H9F3N2OS MolecularWeight: 262.25147

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)CC2=C(NNC2=O)C(F)(F)F

Isomeric SMILES

CC1=CSC(=C1)CC2=C(NNC2=O)C(F)(F)F

InChI

InChI=1S/C10H9F3N2OS/c1-5-2-6(17-4-5)3-7-8(10(11,12)13)14-15-9(7)16/h2,4H,3H2,1H3,(H2,14,15,16)