2-[[4-(3-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(3-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(3-methoxyphenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(3-methoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(3-methoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=CC=N4

InChI

InChI=1S/C20H21N5O3S/c1-27-16-6-4-5-15(13-16)25-19(17-7-2-3-8-21-17)22-23-20(25)29-14-18(26)24-9-11-28-12-10-24/h2-8,13H,9-12,14H2,1H3