2-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)ethanesulfonic acid

Systemtic Name: 2-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)ethanesulfonic acid Openeye Name: 2-(2,3-dimethyl-5-thioxo-1H-1,2,4-triazol-4-ium-4-yl)ethanesulfonic acid CAS Name: 2-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)ethanesulfonic acid IUPAC Name: 2-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)ethanesulfonic acid Traditional Name: 2-(2,3-dimethyl-5-thioxo-1H-1,2,4-triazol-4-ium-4-yl)ethanesulfonic acid Formula: C6H12N3O3S2+ MolecularWeight: 238.30778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=S)NN1C)CCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C(=S)NN1C)CCS(=O)(=O)O

InChI

InChI=1S/C6H11N3O3S2/c1-5-8(2)7-6(13)9(5)3-4-14(10,11)12/h3-4H2,1-2H3,(H-,7,10,11,12,13)/p+1