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

Systemtic Name: phenyl 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCS(=O)(=O)OC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCS(=O)(=O)OC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C21H24N4O4S2/c1-17-7-5-6-10-19(17)25-20(24-11-13-28-14-12-24)22-23-21(25)30-15-16-31(26,27)29-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3