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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-ethyl-2-morpholin-4-yl-pentyl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-ethyl-2-morpholino-pentyl)propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[3-ethyl-2-(4-morpholinyl)pentyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide Traditional Name: N-(3-ethyl-2-morpholino-pentyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C24H37N5O3S MolecularWeight: 475.64728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N5O3S/c1-4-18(5-2)21(28-13-15-31-16-14-28)17-25-22(30)11-12-29-23(26-27-24(29)33)19-7-9-20(10-8-19)32-6-3/h7-10,18,21H,4-6,11-17H2,1-3H3,(H,25,30)(H,27,33)