[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone

Systemtic Name: [2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone Openeye Name: [2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone CAS Name: [2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-4-morpholinyl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone IUPAC Name: [2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone Traditional Name: [2-[[5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxymethyl]morpholino]-[2-methyl-3-(trifluoromethyl)phenyl]methanone Formula: C21H22F3N5O3S MolecularWeight: 481.49129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C4=C(C(=CC=C4)C(F)(F)F)C)SC

Isomeric SMILES

CC1=NC2=NC(=NN2C(=C1)OCC3CN(CCO3)C(=O)C4=C(C(=CC=C4)C(F)(F)F)C)SC

InChI

InChI=1S/C21H22F3N5O3S/c1-12-9-17(29-19(25-12)26-20(27-29)33-3)32-11-14-10-28(7-8-31-14)18(30)15-5-4-6-16(13(15)2)21(22,23)24/h4-6,9,14H,7-8,10-11H2,1-3H3