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

Systemtic Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-morpholin-4-ylpyridin-2-yl)ethanamide Openeye Name: N-(5-morpholino-2-pyridyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[5-(4-morpholinyl)-2-pyridinyl]acetamide IUPAC Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-morpholin-4-ylpyridin-2-yl)acetamide Traditional Name: N-(5-morpholino-2-pyridyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=NC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=NC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C20H22N6O2S/c1-14-2-4-15(5-3-14)19-23-24-20(29)26(19)13-18(27)22-17-7-6-16(12-21-17)25-8-10-28-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,24,29)(H,21,22,27)