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

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(1-phenyl-5-tetrazolyl)methylthio]propanoic acid IUPAC Name: 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(1-phenyltetrazol-5-yl)methylthio]propionic acid Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SCC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C11H12N4O2S/c1-8(11(16)17)18-7-10-12-13-14-15(10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,17)