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

Systemtic Name: phenyl 2-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylethanesulfonate CAS Name: 2-[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethanesulfonate Traditional Name: 2-[(1-p-cumenyltetrazol-5-yl)thio]ethanesulfonic acid phenyl ester Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S2/c1-14(2)15-8-10-16(11-9-15)22-18(19-20-21-22)26-12-13-27(23,24)25-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3