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

Systemtic Name: N-hexyl-2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-hexyl-2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-hexyl-2-[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-hexyl-2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-hexyl-2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2S/c1-3-4-5-6-10-22-19(27)16-29-21-24-23-20(25-11-13-28-14-12-25)26(21)18-9-7-8-17(2)15-18/h7-9,15H,3-6,10-14,16H2,1-2H3,(H,22,27)