2-[5-(diphenylmethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]propanoic acid

Systemtic Name: 2-[5-(diphenylmethyl)sulfanyl-1,2,3,4-tetrazol-1-yl]propanoic acid Openeye Name: 2-(5-benzhydrylsulfanyltetrazol-1-yl)propanoic acid CAS Name: 2-[5-[(diphenylmethyl)thio]-1-tetrazolyl]propanoic acid IUPAC Name: 2-(5-benzhydrylsulfanyltetrazol-1-yl)propanoic acid Traditional Name: 2-[5-(benzhydrylthio)tetrazol-1-yl]propionic acid Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=NN=N1)SC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)N1C(=NN=N1)SC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-12(16(22)23)21-17(18-19-20-21)24-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,22,23)