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

Systemtic Name: phenyl 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-(1-cyclopropyltetrazol-5-yl)sulfanylethanesulfonate CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1-cyclopropyltetrazol-5-yl)sulfanylethanesulfonate Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]ethanesulfonic acid phenyl ester Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CC1N2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C12H14N4O3S2/c17-21(18,19-11-4-2-1-3-5-11)9-8-20-12-13-14-15-16(12)10-6-7-10/h1-5,10H,6-9H2