2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C23H27N5O2S/c1-18-6-5-9-20(16-18)28-22(27-12-14-30-15-13-27)25-26-23(28)31-17-21(29)24-11-10-19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3,(H,24,29)