2,3,5-trimethyl-4-[1-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-4-yl]benzenecarbothioamide

Systemtic Name: 2,3,5-trimethyl-4-[1-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-4-yl]benzenecarbothioamide Openeye Name: 2,3,5-trimethyl-4-[1-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-4-yl]benzenecarbothioamide CAS Name: 2,3,5-trimethyl-4-[1-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-4-yl]benzenecarbothioamide IUPAC Name: 2,3,5-trimethyl-4-[1-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-4-yl]benzenecarbothioamide Traditional Name: 4-[5-keto-1-methyl-3-(trifluoromethyl)-1,2,4-triazol-4-yl]-2,3,5-trimethyl-thiobenzamide Formula: C14H15F3N4OS MolecularWeight: 344.35531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=S)N)C)C)N2C(=NN(C2=O)C)C(F)(F)F

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=S)N)C)C)N2C(=NN(C2=O)C)C(F)(F)F

InChI

InChI=1S/C14H15F3N4OS/c1-6-5-9(11(18)23)7(2)8(3)10(6)21-12(14(15,16)17)19-20(4)13(21)22/h5H,1-4H3,(H2,18,23)