3-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4-amino-5-keto-6-methyl-1,2,4-triazin-3-yl)thio]methyl]benzoic acid Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H12N4O3S/c1-7-10(17)16(13)12(15-14-7)20-6-8-3-2-4-9(5-8)11(18)19/h2-5H,6,13H2,1H3,(H,18,19)