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

Systemtic Name: 4-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[(1-benzyltetrazol-5-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[[1-(phenylmethyl)-5-tetrazolyl]thio]methyl]benzoic acid IUPAC Name: 4-[(1-benzyltetrazol-5-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(1-benzyltetrazol-5-yl)thio]methyl]benzoic acid Formula: C16H14N4O2S MolecularWeight: 326.37296

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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)