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

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-morpholinophenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-morpholinophenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C19H20N6O2S/c26-17(13-28-19-22-18(23-24-19)14-5-7-20-8-6-14)21-15-1-3-16(4-2-15)25-9-11-27-12-10-25/h1-8H,9-13H2,(H,21,26)(H,22,23,24)