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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-methyl-2-morpholin-4-yl-pentyl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-methyl-2-morpholino-pentyl)propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[4-methyl-2-(4-morpholinyl)pentyl]propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide Traditional Name: N-(4-methyl-2-morpholino-pentyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C23H35N5O3S MolecularWeight: 461.6207

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC(CC(C)C)N3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC(CC(C)C)N3CCOCC3

InChI

InChI=1S/C23H35N5O3S/c1-4-31-20-7-5-18(6-8-20)22-25-26-23(32)28(22)10-9-21(29)24-16-19(15-17(2)3)27-11-13-30-14-12-27/h5-8,17,19H,4,9-16H2,1-3H3,(H,24,29)(H,26,32)