3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(4-methyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(4-methyl-1,2,4-triazol-3-yl)thio]propionate Formula: C6H8N3O2S- MolecularWeight: 186.21162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCC(=O)[O-]

Isomeric SMILES

CN1C=NN=C1SCCC(=O)[O-]

InChI

InChI=1S/C6H9N3O2S/c1-9-4-7-8-6(9)12-3-2-5(10)11/h4H,2-3H2,1H3,(H,10,11)/p-1