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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCOC(=O)C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCOC(=O)C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H24N4O3S/c1-17-7-5-6-10-19(17)26-21(25-11-13-28-14-12-25)23-24-22(26)30-16-15-29-20(27)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3