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

Systemtic Name: 4-[(5-azanyl-3-azanylidene-4-methylsulfonyl-1,2,4-triazin-4-ium-6-ylidene)amino]benzoic acid Openeye Name: 4-[(5-amino-3-imino-4-methylsulfonyl-1,2,4-triazin-4-ium-6-ylidene)amino]benzoic acid CAS Name: 4-[(5-amino-3-imino-4-methylsulfonyl-1,2,4-triazin-4-ium-6-ylidene)amino]benzoic acid IUPAC Name: 4-[(5-amino-3-imino-4-methylsulfonyl-1,2,4-triazin-4-ium-6-ylidene)amino]benzoic acid Traditional Name: 4-[(5-amino-3-imino-4-mesyl-1,2,4-triazin-4-ium-6-ylidene)amino]benzoic acid Formula: C11H11N6O4S+ MolecularWeight: 323.30784

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N+]1=C(C(=NC2=CC=C(C=C2)C(=O)O)N=NC1=N)N

Isomeric SMILES

CS(=O)(=O)[N+]1=C(C(=NC2=CC=C(C=C2)C(=O)O)N=NC1=N)N

InChI

InChI=1S/C11H10N6O4S/c1-22(20,21)17-8(12)9(15-16-11(17)13)14-7-4-2-6(3-5-7)10(18)19/h2-5,12-13H,1H3,(H,18,19)/p+1