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

Systemtic Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-propan-1-one Openeye Name: 1-morpholino-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-1-propanone IUPAC Name: 2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one Traditional Name: 1-morpholino-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)N3CCOCC3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)N3CCOCC3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5O2S/c1-15-5-3-4-6-18(15)26-19(17-7-9-22-10-8-17)23-24-21(26)29-16(2)20(27)25-11-13-28-14-12-25/h3-10,16H,11-14H2,1-2H3