5-methyl-1-methylsulfanyl-4-oxidanylidene-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylic acid

Systemtic Name: 5-methyl-1-methylsulfanyl-4-oxidanylidene-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylic acid Openeye Name: 5-methyl-1-methylsulfanyl-4-oxo-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylic acid CAS Name: 5-methyl-1-(methylthio)-4-oxo-7-(trifluoromethyl)-3-imidazo[1,5-a]quinoxalinecarboxylic acid IUPAC Name: 5-methyl-1-methylsulfanyl-4-oxo-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylic acid Traditional Name: 4-keto-5-methyl-1-(methylthio)-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylic acid Formula: C14H10F3N3O3S MolecularWeight: 357.30771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(F)(F)F)N3C(=C(N=C3SC)C(=O)O)C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(F)(F)F)N3C(=C(N=C3SC)C(=O)O)C1=O

InChI

InChI=1S/C14H10F3N3O3S/c1-19-8-5-6(14(15,16)17)3-4-7(8)20-10(11(19)21)9(12(22)23)18-13(20)24-2/h3-5H,1-2H3,(H,22,23)