2-(4-methylsulfanylphenyl)-3,5-bis(oxidanylidene)-1,2,4-triazine-6-carboxylic acid

Systemtic Name: 2-(4-methylsulfanylphenyl)-3,5-bis(oxidanylidene)-1,2,4-triazine-6-carboxylic acid Openeye Name: 2-(4-methylsulfanylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid CAS Name: 2-[4-(methylthio)phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid Traditional Name: 3,5-diketo-2-[4-(methylthio)phenyl]-1,2,4-triazine-6-carboxylic acid Formula: C11H9N3O4S MolecularWeight: 279.27186

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2C(=O)NC(=O)C(=N2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)N2C(=O)NC(=O)C(=N2)C(=O)O

InChI

InChI=1S/C11H9N3O4S/c1-19-7-4-2-6(3-5-7)14-11(18)12-9(15)8(13-14)10(16)17/h2-5H,1H3,(H,16,17)(H,12,15,18)