disodium 4-(3-methyl-5-sulfanidyl-1,2,4-triazol-4-yl)benzenesulfonate

Systemtic Name: disodium 4-(3-methyl-5-sulfanidyl-1,2,4-triazol-4-yl)benzenesulfonate Openeye Name: disodium 4-(3-methyl-5-sulfido-1,2,4-triazol-4-yl)benzenesulfonate CAS Name: disodium 4-(3-methyl-5-sulfido-1,2,4-triazol-4-yl)benzenesulfonate IUPAC Name: disodium 4-(3-methyl-5-sulfido-1,2,4-triazol-4-yl)benzenesulfonate Traditional Name: disodium 4-(3-methyl-5-sulfido-1,2,4-triazol-4-yl)besylate Formula: C9H7N3Na2O3S2 MolecularWeight: 315.27972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)S(=O)(=O)[O-])[S-].[Na+].[Na+]

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)S(=O)(=O)[O-])[S-].[Na+].[Na+]

InChI

InChI=1S/C9H9N3O3S2.2Na/c1-6-10-11-9(16)12(6)7-2-4-8(5-3-7)17(13,14)15;;/h2-5H,1H3,(H,11,16)(H,13,14,15);;/q;2*+1/p-2