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

Systemtic Name: 4-(3-methyl-5-sulfanidyl-1,2,4-triazol-4-yl)benzenesulfonate Openeye Name: 4-(3-methyl-5-sulfido-1,2,4-triazol-4-yl)benzenesulfonate CAS Name: 4-(3-methyl-5-sulfido-1,2,4-triazol-4-yl)benzenesulfonate IUPAC Name: 4-(3-methyl-5-sulfido-1,2,4-triazol-4-yl)benzenesulfonate Traditional Name: 4-(3-methyl-5-sulfido-1,2,4-triazol-4-yl)besylate Formula: C9H7N3O3S2-2 MolecularWeight: 269.30018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3O3S2/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)/p-2