2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-morpholin-4-ylphenyl)ethanamide

Systemtic Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-morpholinophenyl)acetamide CAS Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide Traditional Name: N-(2-morpholinophenyl)-2-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=CC=CC=C3N4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=CC=CC=C3N4CCOCC4

InChI

InChI=1S/C22H25N5O3S/c1-2-30-17-9-7-16(8-10-17)21-24-25-22(31)27(21)15-20(28)23-18-5-3-4-6-19(18)26-11-13-29-14-12-26/h3-10H,2,11-15H2,1H3,(H,23,28)(H,25,31)