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

Systemtic Name: 2,3,5-trimethyl-4-[2-oxidanylidene-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzenecarbothioamide Openeye Name: 2,3,5-trimethyl-4-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzenecarbothioamide CAS Name: 2,3,5-trimethyl-4-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzenecarbothioamide IUPAC Name: 2,3,5-trimethyl-4-[2-oxo-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]benzenecarbothioamide Traditional Name: 4-[2-keto-5-(trifluoromethyl)-1,3,4-oxadiazol-3-yl]-2,3,5-trimethyl-thiobenzamide Formula: C13H12F3N3O2S MolecularWeight: 331.31349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3N3O2S/c1-5-4-8(10(17)22)6(2)7(3)9(5)19-12(20)21-11(18-19)13(14,15)16/h4H,1-3H3,(H2,17,22)