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

Systemtic Name: 4-[(3-azanyl-5-azanylidene-4-methylsulfonyl-1,2,4-triazin-6-yl)amino]benzoic acid Openeye Name: 4-[(3-amino-5-imino-4-methylsulfonyl-1,2,4-triazin-6-yl)amino]benzoic acid CAS Name: 4-[(3-amino-5-imino-4-methylsulfonyl-1,2,4-triazin-6-yl)amino]benzoic acid IUPAC Name: 4-[(3-amino-5-imino-4-methylsulfonyl-1,2,4-triazin-6-yl)amino]benzoic acid Traditional Name: 4-[(3-amino-5-imino-4-mesyl-1,2,4-triazin-6-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(=NN=C1N)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1C(=N)C(=NN=C1N)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H12N6O4S/c1-22(20,21)17-8(12)9(15-16-11(17)13)14-7-4-2-6(3-5-7)10(18)19/h2-5,12H,1H3,(H2,13,16)(H,14,15)(H,18,19)