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

Systemtic Name: 3-[2-(1-methyl-1,2,3,4-tetrazol-5-yl)ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(1-methyltetrazol-5-yl)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(1-methyl-5-tetrazolyl)ethylthio]propanoic acid IUPAC Name: 3-[2-(1-methyltetrazol-5-yl)ethylsulfanyl]propanoic acid Traditional Name: 3-[2-(1-methyltetrazol-5-yl)ethylthio]propionic acid Formula: C7H12N4O2S MolecularWeight: 216.26078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)CCSCCC(=O)O

Isomeric SMILES

CN1C(=NN=N1)CCSCCC(=O)O

InChI

InChI=1S/C7H12N4O2S/c1-11-6(8-9-10-11)2-4-14-5-3-7(12)13/h2-5H2,1H3,(H,12,13)