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

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]propanoic acid IUPAC Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(1-butyltetrazol-5-yl)methylthio]propionic acid Formula: C9H16N4O2S MolecularWeight: 244.31394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC(C)C(=O)O

Isomeric SMILES

CCCCN1C(=NN=N1)CSC(C)C(=O)O

InChI

InChI=1S/C9H16N4O2S/c1-3-4-5-13-8(10-11-12-13)6-16-7(2)9(14)15/h7H,3-6H2,1-2H3,(H,14,15)