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

Systemtic Name: phenyl 2-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylethanesulfonate CAS Name: 2-[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylethanesulfonate Traditional Name: 2-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]ethanesulfonic acid phenyl ester Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O4S2/c1-13-8-9-16(24-2)15(12-13)21-17(18-19-20-21)26-10-11-27(22,23)25-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3