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

Systemtic Name: 1-but-3-yn-2-yl-2,2,5-trimethyl-4-[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-3H-indole-7-carbothioamide Openeye Name: 2,2,5-trimethyl-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-1-(1-methylprop-2-ynyl)indoline-7-carbothioamide CAS Name: 1-but-3-yn-2-yl-2,2,5-trimethyl-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-3H-indole-7-carbothioamide IUPAC Name: 1-but-3-yn-2-yl-2,2,5-trimethyl-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-3H-indole-7-carbothioamide Traditional Name: 4-[5-keto-4-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-2,2,5-trimethyl-1-(1-methylprop-2-ynyl)indoline-7-carbothioamide Formula: C20H22F3N5OS MolecularWeight: 437.48179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H22F3N5OS/c1-7-11(3)27-15-12(16(24)30)8-10(2)14(13(15)9-19(27,4)5)28-18(29)26(6)17(25-28)20(21,22)23/h1,8,11H,9H2,2-6H3,(H2,24,30)