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

Systemtic Name: 2-[[4-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 1-morpholino-2-[[4-(m-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 1-morpholino-2-[[4-(m-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=NC=C4

InChI

InChI=1S/C20H21N5O2S/c1-15-3-2-4-17(13-15)25-19(16-5-7-21-8-6-16)22-23-20(25)28-14-18(26)24-9-11-27-12-10-24/h2-8,13H,9-12,14H2,1H3