4-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoate Openeye Name: 4-[(1-benzyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[1-(phenylmethyl)-5-tetrazolyl]thio]methyl]benzoate IUPAC Name: 4-[(1-benzyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-benzyltetrazol-5-yl)thio]methyl]benzoate Formula: C16H13N4O2S- MolecularWeight: 325.36502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H14N4O2S/c21-15(22)14-8-6-13(7-9-14)11-23-16-17-18-19-20(16)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22)/p-1