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

Systemtic Name: 2-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)ethanoic acid Openeye Name: 2-(2,3-dimethyl-5-thioxo-1H-1,2,4-triazol-4-ium-4-yl)acetic acid CAS Name: 2-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)acetic acid IUPAC Name: 2-(2,3-dimethyl-5-sulfanylidene-1H-1,2,4-triazol-4-ium-4-yl)acetic acid Traditional Name: 2-(2,3-dimethyl-5-thioxo-1H-1,2,4-triazol-4-ium-4-yl)acetic acid Formula: C6H10N3O2S+ MolecularWeight: 188.2275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9N3O2S/c1-4-8(2)7-6(12)9(4)3-5(10)11/h3H2,1-2H3,(H-,7,10,11,12)/p+1