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

Systemtic Name: N-(3-ethyl-2-morpholin-4-yl-pentyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-ethyl-2-morpholino-pentyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[3-ethyl-2-(4-morpholinyl)pentyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3-ethyl-2-morpholino-pentyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C23H35N5O2S MolecularWeight: 445.6213

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)CCN1C(=NNC1=S)C2=CC(=CC=C2)C)N3CCOCC3

Isomeric SMILES

CCC(CC)C(CNC(=O)CCN1C(=NNC1=S)C2=CC(=CC=C2)C)N3CCOCC3

InChI

InChI=1S/C23H35N5O2S/c1-4-18(5-2)20(27-11-13-30-14-12-27)16-24-21(29)9-10-28-22(25-26-23(28)31)19-8-6-7-17(3)15-19/h6-8,15,18,20H,4-5,9-14,16H2,1-3H3,(H,24,29)(H,26,31)