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

Systemtic Name: phenyl 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3C

InChI

InChI=1S/C19H21N3O3S2/c1-3-22-18(17-12-8-7-9-15(17)2)20-21-19(22)26-13-14-27(23,24)25-16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3