4-[(5-azanyl-6-azanylidene-1-methylsulfonyl-1,2,4-triazin-3-yl)amino]benzoic acid

Systemtic Name: 4-[(5-azanyl-6-azanylidene-1-methylsulfonyl-1,2,4-triazin-3-yl)amino]benzoic acid Openeye Name: 4-[(5-amino-6-imino-1-methylsulfonyl-1,2,4-triazin-3-yl)amino]benzoic acid CAS Name: 4-[(5-amino-6-imino-1-methylsulfonyl-1,2,4-triazin-3-yl)amino]benzoic acid IUPAC Name: 4-[(5-amino-6-imino-1-methylsulfonyl-1,2,4-triazin-3-yl)amino]benzoic acid Traditional Name: 4-[(5-amino-6-imino-1-mesyl-1,2,4-triazin-3-yl)amino]benzoic acid Formula: C11H12N6O4S MolecularWeight: 324.31578

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(=N)C(=NC(=N1)NC2=CC=C(C=C2)C(=O)O)N

Isomeric SMILES

CS(=O)(=O)N1C(=N)C(=NC(=N1)NC2=CC=C(C=C2)C(=O)O)N

InChI

InChI=1S/C11H12N6O4S/c1-22(20,21)17-9(13)8(12)15-11(16-17)14-7-4-2-6(3-5-7)10(18)19/h2-5,13H,1H3,(H,18,19)(H3,12,14,15,16)