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

Systemtic Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-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:

CCC(CC)NC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C)N3CCOCC3

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C)N3CCOCC3

InChI

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