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

Systemtic Name: phenyl 2-[[1-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-(1-isobutyltetrazol-5-yl)sulfanylethanesulfonate CAS Name: 2-[[1-(2-methylpropyl)-5-tetrazolyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethanesulfonate Traditional Name: 2-[(1-isobutyltetrazol-5-yl)thio]ethanesulfonic acid phenyl ester Formula: C13H18N4O3S2 MolecularWeight: 342.43702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=N1)SCCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)CN1C(=NN=N1)SCCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C13H18N4O3S2/c1-11(2)10-17-13(14-15-16-17)21-8-9-22(18,19)20-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3