sodium 2-(2,3-dimethyl-5-sulfanidyl-3H-1,2,4-triazol-4-yl)ethanesulfonate

Systemtic Name: sodium 2-(2,3-dimethyl-5-sulfanidyl-3H-1,2,4-triazol-4-yl)ethanesulfonate Openeye Name: sodium 2-(2,3-dimethyl-5-sulfido-3H-1,2,4-triazol-4-yl)ethanesulfonate CAS Name: sodium 2-(2,3-dimethyl-5-sulfido-3H-1,2,4-triazol-4-yl)ethanesulfonate IUPAC Name: sodium 2-(2,3-dimethyl-5-sulfido-3H-1,2,4-triazol-4-yl)ethanesulfonate Traditional Name: sodium 2-(2,3-dimethyl-5-sulfido-3H-1,2,4-triazol-4-yl)ethanesulfonate Formula: C6H11N3NaO3S2- MolecularWeight: 260.28961

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(N=C(N1CCS(=O)(=O)[O-])[S-])C.[Na+]

Isomeric SMILES

CC1N(N=C(N1CCS(=O)(=O)[O-])[S-])C.[Na+]

InChI

InChI=1S/C6H13N3O3S2.Na/c1-5-8(2)7-6(13)9(5)3-4-14(10,11)12;/h5H,3-4H2,1-2H3,(H,7,13)(H,10,11,12);/q;+1/p-2