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

Systemtic Name: 2-[[6-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[6-[(2-chloro-4-fluoro-phenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[6-[(2-chloro-4-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[6-(2-chloro-4-fluoro-benzyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-N-(p-tolyl)acetamide Formula: C23H21ClFN5OS MolecularWeight: 469.962143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN3C(=C(C(=NC3=N2)C)CC4=C(C=C(C=C4)F)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN3C(=C(C(=NC3=N2)C)CC4=C(C=C(C=C4)F)Cl)C

InChI

InChI=1S/C23H21ClFN5OS/c1-13-4-8-18(9-5-13)27-21(31)12-32-23-28-22-26-14(2)19(15(3)30(22)29-23)10-16-6-7-17(25)11-20(16)24/h4-9,11H,10,12H2,1-3H3,(H,27,31)