4-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-amino-5-oxo-1,2,4-triazin-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-amino-5-keto-1,2,4-triazin-3-yl)thio]methyl]benzoic acid Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=CC(=O)N2N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=CC(=O)N2N)C(=O)O

InChI

InChI=1S/C11H10N4O3S/c12-15-9(16)5-13-14-11(15)19-6-7-1-3-8(4-2-7)10(17)18/h1-5H,6,12H2,(H,17,18)