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

Systemtic Name: phenyl 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H21N3O4S2/c1-3-22-18(15-9-11-16(25-2)12-10-15)20-21-19(22)27-13-14-28(23,24)26-17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3