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

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(1-methyl-5-tetrazolyl)methylthio]propanoic acid IUPAC Name: 3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(1-methyltetrazol-5-yl)methylthio]propionic acid Formula: C6H10N4O2S MolecularWeight: 202.2342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)CSCCC(=O)O

Isomeric SMILES

CN1C(=NN=N1)CSCCC(=O)O

InChI

InChI=1S/C6H10N4O2S/c1-10-5(7-8-9-10)4-13-3-2-6(11)12/h2-4H2,1H3,(H,11,12)