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

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid Openeye Name: 3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid CAS Name: 3-[(1-methyl-5-tetrazolyl)thio]propanoic acid IUPAC Name: 3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid Traditional Name: 3-[(1-methyltetrazol-5-yl)thio]propionic acid Formula: C5H8N4O2S MolecularWeight: 188.20762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCC(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCCC(=O)O

InChI

InChI=1S/C5H8N4O2S/c1-9-5(6-7-8-9)12-3-2-4(10)11/h2-3H2,1H3,(H,10,11)