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

Systemtic Name: 3-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[(1-benzyltetrazol-5-yl)methylsulfanyl]propanoic acid CAS Name: 3-[[1-(phenylmethyl)-5-tetrazolyl]methylthio]propanoic acid IUPAC Name: 3-[(1-benzyltetrazol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(1-benzyltetrazol-5-yl)methylthio]propionic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=N2)CSCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)CSCCC(=O)O

InChI

InChI=1S/C12H14N4O2S/c17-12(18)6-7-19-9-11-13-14-15-16(11)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,17,18)