2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoic acid

Systemtic Name: 2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoic acid Openeye Name: 2-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)propanoic acid CAS Name: 2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoic acid IUPAC Name: 2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propanoic acid Traditional Name: 2-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)propionic acid Formula: C6H9N3O2S MolecularWeight: 187.21956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NNC(=S)N1C)C(=O)O

Isomeric SMILES

CC(C1=NNC(=S)N1C)C(=O)O

InChI

InChI=1S/C6H9N3O2S/c1-3(5(10)11)4-7-8-6(12)9(4)2/h3H,1-2H3,(H,8,12)(H,10,11)