3-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: 3-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)thio]propionate Formula: C8H12N3O2S- MolecularWeight: 214.26478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C)SCCC(=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C)SCCC(=O)[O-]

InChI

InChI=1S/C8H13N3O2S/c1-3-6-9-10-8(11(6)2)14-5-4-7(12)13/h3-5H2,1-2H3,(H,12,13)/p-1