3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCCC(=O)O

Isomeric SMILES

CC1=NC(=NN1)SCCC(=O)O

InChI

InChI=1S/C6H9N3O2S/c1-4-7-6(9-8-4)12-3-2-5(10)11/h2-3H2,1H3,(H,10,11)(H,7,8,9)