3-(4-methyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)propanoic acid

Systemtic Name: 3-(4-methyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)propanoic acid Openeye Name: 3-(4-methyl-5-thioxo-tetrazol-1-yl)propanoic acid CAS Name: 3-(4-methyl-5-sulfanylidene-1-tetrazolyl)propanoic acid IUPAC Name: 3-(4-methyl-5-sulfanylidenetetrazol-1-yl)propanoic acid Traditional Name: 3-(4-methyl-5-thioxo-tetrazol-1-yl)propionic acid Formula: C5H8N4O2S MolecularWeight: 188.20762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(N=N1)CCC(=O)O

Isomeric SMILES

CN1C(=S)N(N=N1)CCC(=O)O

InChI

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