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

Systemtic Name: phenyl 2-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-(1-ethyltetrazol-5-yl)sulfanylethanesulfonate CAS Name: 2-[(1-ethyl-5-tetrazolyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1-ethyltetrazol-5-yl)sulfanylethanesulfonate Traditional Name: 2-[(1-ethyltetrazol-5-yl)thio]ethanesulfonic acid phenyl ester Formula: C11H14N4O3S2 MolecularWeight: 314.38386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=N1)SCCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=N1)SCCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C11H14N4O3S2/c1-2-15-11(12-13-14-15)19-8-9-20(16,17)18-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3