2-[[6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[[6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[6-[(2-chloro-6-fluoro-phenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[6-(2-chloro-6-fluoro-benzyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-1-morpholino-ethanone Formula: C20H21ClFN5O2S MolecularWeight: 449.929443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=NC(=NN12)SCC(=O)N3CCOCC3)C)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=C(C(=NC2=NC(=NN12)SCC(=O)N3CCOCC3)C)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H21ClFN5O2S/c1-12-14(10-15-16(21)4-3-5-17(15)22)13(2)27-19(23-12)24-20(25-27)30-11-18(28)26-6-8-29-9-7-26/h3-5H,6-11H2,1-2H3