2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)ethanoic acid

Systemtic Name: 2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)ethanoic acid Openeye Name: 2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetic acid CAS Name: 2-[3-(methylthio)-1H-1,2,4-triazol-5-yl]acetic acid IUPAC Name: 2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetic acid Traditional Name: 2-[3-(methylthio)-1H-1,2,4-triazol-5-yl]acetic acid Formula: C5H7N3O2S MolecularWeight: 173.19298

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)CC(=O)O

Isomeric SMILES

CSC1=NNC(=N1)CC(=O)O

InChI

InChI=1S/C5H7N3O2S/c1-11-5-6-3(7-8-5)2-4(9)10/h2H2,1H3,(H,9,10)(H,6,7,8)