1-[[5-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[5-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-(4-chlorophenyl)-5-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[4-(4-chlorophenyl)-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[4-(4-chlorophenyl)-5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-(4-chlorophenyl)-5-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C20H17Cl2F3N4OS MolecularWeight: 489.34139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H17Cl2F3N4OS/c1-19(2,3)15(30)10-31-18-28-27-17(29(18)13-6-4-12(21)5-7-13)16-14(22)8-11(9-26-16)20(23,24)25/h4-9H,10H2,1-3H3