1-but-3-yn-2-yl-2,3,5-trimethyl-4-[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]indole-7-carbothioamide

Systemtic Name: 1-but-3-yn-2-yl-2,3,5-trimethyl-4-[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]indole-7-carbothioamide Openeye Name: 2,3,5-trimethyl-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-1-(1-methylprop-2-ynyl)indole-7-carbothioamide CAS Name: 1-but-3-yn-2-yl-2,3,5-trimethyl-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-7-indolecarbothioamide IUPAC Name: 1-but-3-yn-2-yl-2,3,5-trimethyl-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]indole-7-carbothioamide Traditional Name: 4-[5-keto-4-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2,3,5-trimethyl-1-(1-methylprop-2-ynyl)indole-7-carbothioamide Formula: C20H20F3N5OS MolecularWeight: 435.46591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1)C(=S)N)N(C(=C2C)C)C(C)C#C)N3C(=O)N(C(=N3)C(F)(F)F)C

Isomeric SMILES

CC1=C(C2=C(C(=C1)C(=S)N)N(C(=C2C)C)C(C)C#C)N3C(=O)N(C(=N3)C(F)(F)F)C

InChI

InChI=1S/C20H20F3N5OS/c1-7-10(3)27-12(5)11(4)14-15(9(2)8-13(16(14)27)17(24)30)28-19(29)26(6)18(25-28)20(21,22)23/h1,8,10H,2-6H3,(H2,24,30)