2,2,5-trimethyl-4-[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-3H-1-benzofuran-7-carbothioamide

Systemtic Name: 2,2,5-trimethyl-4-[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-3H-1-benzofuran-7-carbothioamide Openeye Name: 2,2,5-trimethyl-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-3H-benzofuran-7-carbothioamide CAS Name: 2,2,5-trimethyl-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-3H-benzofuran-7-carbothioamide IUPAC Name: 2,2,5-trimethyl-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-3H-1-benzofuran-7-carbothioamide Traditional Name: 4-[5-keto-4-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2,2,5-trimethyl-coumaran-7-carbothioamide Formula: C16H17F3N4O2S MolecularWeight: 386.39199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1)C(=S)N)OC(C2)(C)C)N3C(=O)N(C(=N3)C(F)(F)F)C

Isomeric SMILES

CC1=C(C2=C(C(=C1)C(=S)N)OC(C2)(C)C)N3C(=O)N(C(=N3)C(F)(F)F)C

InChI

InChI=1S/C16H17F3N4O2S/c1-7-5-8(12(20)26)11-9(6-15(2,3)25-11)10(7)23-14(24)22(4)13(21-23)16(17,18)19/h5H,6H2,1-4H3,(H2,20,26)