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

Systemtic Name: 2,3,5-trimethyl-4-[3-oxidanylidene-5-(trifluoromethyl)-1H-1,2,4-triazol-2-yl]benzenecarbothioamide Openeye Name: 2,3,5-trimethyl-4-[3-oxo-5-(trifluoromethyl)-1H-1,2,4-triazol-2-yl]benzenecarbothioamide CAS Name: 2,3,5-trimethyl-4-[3-oxo-5-(trifluoromethyl)-1H-1,2,4-triazol-2-yl]benzenecarbothioamide IUPAC Name: 2,3,5-trimethyl-4-[3-oxo-5-(trifluoromethyl)-1H-1,2,4-triazol-2-yl]benzenecarbothioamide Traditional Name: 4-[3-keto-5-(trifluoromethyl)-1H-1,2,4-triazol-2-yl]-2,3,5-trimethyl-thiobenzamide Formula: C13H13F3N4OS MolecularWeight: 330.32873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=S)N)C)C)N2C(=O)N=C(N2)C(F)(F)F

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=S)N)C)C)N2C(=O)N=C(N2)C(F)(F)F

InChI

InChI=1S/C13H13F3N4OS/c1-5-4-8(10(17)22)6(2)7(3)9(5)20-12(21)18-11(19-20)13(14,15)16/h4H,1-3H3,(H2,17,22)(H,18,19,21)