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

Systemtic Name: 2-[3-(3-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-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[5-(4-morpholinyl)-2-pyridinyl]acetamide IUPAC Name: 2-[3-(3-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-(m-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=CC(=C1)C2=NNC(=S)N2CC(=O)NC3=NC=C(C=C3)N4CCOCC4

Isomeric SMILES

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

InChI

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