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

Systemtic Name: 2-methyl-4-[[4-methyl-2-(trifluoromethyl)-1,3-benzothiazol-5-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-benzothiazole-5-carbonyl]-1H-pyrazol-3-one CAS Name: 2-methyl-4-[[4-methyl-2-(trifluoromethyl)-1,3-benzothiazol-5-yl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-benzothiazole-5-carbonyl]-1H-pyrazol-3-one Traditional Name: 2-methyl-4-[4-methyl-2-(trifluoromethyl)-1,3-benzothiazole-5-carbonyl]-3-pyrazolin-3-one Formula: C14H10F3N3O2S MolecularWeight: 341.30831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)C(F)(F)F)C(=O)C3=CNN(C3=O)C

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)C(F)(F)F)C(=O)C3=CNN(C3=O)C

InChI

InChI=1S/C14H10F3N3O2S/c1-6-7(11(21)8-5-18-20(2)12(8)22)3-4-9-10(6)19-13(23-9)14(15,16)17/h3-5,18H,1-2H3