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

Systemtic Name: 2,3,5-trimethyl-4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzenecarbothioamide Openeye Name: 2,3,5-trimethyl-4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzenecarbothioamide CAS Name: 2,3,5-trimethyl-4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzenecarbothioamide IUPAC Name: 2,3,5-trimethyl-4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzenecarbothioamide Traditional Name: 2,3,5-trimethyl-4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thiobenzamide Formula: C14H15F3N4S MolecularWeight: 328.35591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=S)N)C)C)C2=NN(C(=N2)C(F)(F)F)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=S)N)C)C)C2=NN(C(=N2)C(F)(F)F)C

InChI

InChI=1S/C14H15F3N4S/c1-6-5-9(11(18)22)7(2)8(3)10(6)12-19-13(14(15,16)17)21(4)20-12/h5H,1-4H3,(H2,18,22)