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

Systemtic Name: 3-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(1-isopropyltetrazol-5-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(1-propan-2-yl-5-tetrazolyl)methylthio]propanoic acid IUPAC Name: 3-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(1-isopropyltetrazol-5-yl)methylthio]propionic acid Formula: C8H14N4O2S MolecularWeight: 230.28736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)CSCCC(=O)O

Isomeric SMILES

CC(C)N1C(=NN=N1)CSCCC(=O)O

InChI

InChI=1S/C8H14N4O2S/c1-6(2)12-7(9-10-11-12)5-15-4-3-8(13)14/h6H,3-5H2,1-2H3,(H,13,14)