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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC=NN1)C(=O)O

Isomeric SMILES

CC(CSC1=NC=NN1)C(=O)O

InChI

InChI=1S/C6H9N3O2S/c1-4(5(10)11)2-12-6-7-3-8-9-6/h3-4H,2H2,1H3,(H,10,11)(H,7,8,9)