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

Systemtic Name: phenyl 2-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[1-(m-tolyl)tetrazol-5-yl]sulfanylethanesulfonate CAS Name: 2-[[1-(3-methylphenyl)-5-tetrazolyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanesulfonate Traditional Name: 2-[[1-(m-tolyl)tetrazol-5-yl]thio]ethanesulfonic acid phenyl ester Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3S2/c1-13-6-5-7-14(12-13)20-16(17-18-19-20)24-10-11-25(21,22)23-15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3