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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=NN=NN1CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SCC1=NN=NN1CC2=CC=CC=C2

InChI

InChI=1S/C12H14N4O2S/c1-9(12(17)18)19-8-11-13-14-15-16(11)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,17,18)