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

Systemtic Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-ethanamide Openeye Name: 2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-acetamide CAS Name: 2-[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-pentylacetamide IUPAC Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pentylacetamide Traditional Name: N-amyl-2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C)N3CCOCC3

Isomeric SMILES

CCCCCNC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C)N3CCOCC3

InChI

InChI=1S/C20H29N5O2S/c1-3-4-5-9-21-18(26)15-28-20-23-22-19(24-10-12-27-13-11-24)25(20)17-8-6-7-16(2)14-17/h6-8,14H,3-5,9-13,15H2,1-2H3,(H,21,26)