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

Systemtic Name: N-(3-ethyl-2-morpholin-4-yl-pentyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(3-ethyl-2-morpholino-pentyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[3-ethyl-2-(4-morpholinyl)pentyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(3-ethyl-2-morpholino-pentyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C22H33N5O2S MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)C)N3CCOCC3

Isomeric SMILES

CCC(CC)C(CNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)C)N3CCOCC3

InChI

InChI=1S/C22H33N5O2S/c1-4-17(5-2)19(26-10-12-29-13-11-26)14-23-20(28)15-27-21(24-25-22(27)30)18-8-6-16(3)7-9-18/h6-9,17,19H,4-5,10-15H2,1-3H3,(H,23,28)(H,25,30)