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

Systemtic Name: phenyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-(1-methyltetrazol-5-yl)sulfanylethanesulfonate CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1-methyltetrazol-5-yl)sulfanylethanesulfonate Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]ethanesulfonic acid phenyl ester Formula: C10H12N4O3S2 MolecularWeight: 300.35728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O3S2/c1-14-10(11-12-13-14)18-7-8-19(15,16)17-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3