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

Systemtic Name: 5-oxidanylidene-9-propylsulfonyl-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid Openeye Name: 5-oxo-9-propylsulfonyl-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid CAS Name: 5-oxo-9-propylsulfonyl-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid IUPAC Name: 5-oxo-9-propylsulfonyl-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid Traditional Name: 5-keto-9-propylsulfonyl-3H-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylic acid Formula: C13H12N4O5S MolecularWeight: 336.32318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O5S/c1-2-5-23(21,22)7-3-4-9-8(6-7)11-15-10(12(18)19)16-17(11)13(20)14-9/h3-4,6H,2,5H2,1H3,(H,15,16)(H,18,19)