9-ethylsulfinyl-5-oxidanylidene-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid

Systemtic Name: 9-ethylsulfinyl-5-oxidanylidene-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid Openeye Name: 9-ethylsulfinyl-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid CAS Name: 9-ethylsulfinyl-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid IUPAC Name: 9-ethylsulfinyl-5-oxo-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid Traditional Name: 9-ethylsulfinyl-5-keto-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid Formula: C12H10N4O4S MolecularWeight: 306.2972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC2=C3N=C(NN3C(=O)N=C2C=C1)C(=O)O

Isomeric SMILES

CCS(=O)C1=CC2=C3N=C(NN3C(=O)N=C2C=C1)C(=O)O

InChI

InChI=1S/C12H10N4O4S/c1-2-21(20)6-3-4-8-7(5-6)10-14-9(11(17)18)15-16(10)12(19)13-8/h3-5H,2H2,1H3,(H,14,15)(H,17,18)