4-[[(6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(6-methyl-3-thioxo-2H-1,2,4-triazin-5-yl)amino]methyl]benzoic acid CAS Name: 4-[[(6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-methyl-3-thioxo-2H-1,2,4-triazin-5-yl)amino]methyl]benzoic acid Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N=C1NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NNC(=S)N=C1NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H12N4O2S/c1-7-10(14-12(19)16-15-7)13-6-8-2-4-9(5-3-8)11(17)18/h2-5H,6H2,1H3,(H,17,18)(H2,13,14,16,19)