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

Systemtic Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]propionic acid Formula: C7H11N3O2S MolecularWeight: 201.24614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SC(C)C(=O)O

Isomeric SMILES

CCC1=NC(=NN1)SC(C)C(=O)O

InChI

InChI=1S/C7H11N3O2S/c1-3-5-8-7(10-9-5)13-4(2)6(11)12/h4H,3H2,1-2H3,(H,11,12)(H,8,9,10)