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

Systemtic Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C21H23N5O2S/c1-16-6-5-9-18(14-16)26-20(25-10-12-28-13-11-25)23-24-21(26)29-15-19(27)22-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,22,27)