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

Systemtic Name: 3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(1-cyclopropyl-5-tetrazolyl)methylthio]propanoic acid IUPAC Name: 3-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(1-cyclopropyltetrazol-5-yl)methylthio]propionic acid Formula: C8H12N4O2S MolecularWeight: 228.27148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)CSCCC(=O)O

Isomeric SMILES

C1CC1N2C(=NN=N2)CSCCC(=O)O

InChI

InChI=1S/C8H12N4O2S/c13-8(14)3-4-15-5-7-9-10-11-12(7)6-1-2-6/h6H,1-5H2,(H,13,14)