phenyl 2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-(1-benzyltetrazol-5-yl)sulfanylethanesulfonate CAS Name: 2-[[1-(phenylmethyl)-5-tetrazolyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1-benzyltetrazol-5-yl)sulfanylethanesulfonate Traditional Name: 2-[(1-benzyltetrazol-5-yl)thio]ethanesulfonic acid phenyl ester Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3S2/c21-25(22,23-15-9-5-2-6-10-15)12-11-24-16-17-18-19-20(16)13-14-7-3-1-4-8-14/h1-10H,11-13H2