6-methyl-3-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 6-methyl-3-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-methyl-3-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[[2-oxo-2-(4-sulfamoylanilino)ethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-(4-sulfamoylanilino)ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C12H12N5O4S2- MolecularWeight: 354.38478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[O-]

InChI

InChI=1S/C12H13N5O4S2/c1-7-11(19)15-12(17-16-7)22-6-10(18)14-8-2-4-9(5-3-8)23(13,20)21/h2-5H,6H2,1H3,(H,14,18)(H2,13,20,21)(H,15,17,19)/p-1