4-[2-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(6-methyl-5-oxidanylidene-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(5-keto-6-methyl-2H-1,2,4-triazin-3-yl)thio]acetyl]amino]benzoic acid Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NNC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H12N4O4S/c1-7-11(19)15-13(17-16-7)22-6-10(18)14-9-4-2-8(3-5-9)12(20)21/h2-5H,6H2,1H3,(H,14,18)(H,20,21)(H,15,17,19)