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

Systemtic Name: phenyl 2-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethanesulfonate CAS Name: 2-[[1-(4-butylphenyl)-5-tetrazolyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanylethanesulfonate Traditional Name: 2-[[1-(4-butylphenyl)tetrazol-5-yl]thio]ethanesulfonic acid phenyl ester Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3S2/c1-2-3-7-16-10-12-17(13-11-16)23-19(20-21-22-23)27-14-15-28(24,25)26-18-8-5-4-6-9-18/h4-6,8-13H,2-3,7,14-15H2,1H3