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

Systemtic Name: 2-[[6-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[6-[(2-chloro-4-fluoro-phenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[6-(2-chloro-4-fluoro-benzyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C22H25ClFN5OS MolecularWeight: 461.983203

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN3C(=C(C(=NC3=N2)C)CC4=C(C=C(C=C4)F)Cl)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN3C(=C(C(=NC3=N2)C)CC4=C(C=C(C=C4)F)Cl)C

InChI

InChI=1S/C22H25ClFN5OS/c1-13-6-8-28(9-7-13)20(30)12-31-22-26-21-25-14(2)18(15(3)29(21)27-22)10-16-4-5-17(24)11-19(16)23/h4-5,11,13H,6-10,12H2,1-3H3