About 5-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3,5-difluorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-fluoro-5-methoxyphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;1-[3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenyl]ethanone;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;3-(4H-pyrazol-3-ylmethylsulfanyl)-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazole
5-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3,5-difluorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-fluoro-5-methoxyphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;1-[3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenyl]ethanone;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;3-(4H-pyrazol-3-ylmethylsulfanyl)-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazole (PubChem CID 157148842) has the molecular formula C122H91ClF12N36O10S7
and a molecular weight of 2709.21 g/mol. Its IUPAC name is 5-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3,5-difluorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-fluoro-5-methoxyphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;1-[3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenyl]ethanone;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;3-(4H-pyrazol-3-ylmethylsulfanyl)-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazole.
Frequently Asked Questions
What is the IUPAC name of 5-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3,5-difluorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-fluoro-5-methoxyphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;1-[3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenyl]ethanone;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;3-(4H-pyrazol-3-ylmethylsulfanyl)-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazole?
The IUPAC name of 5-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3,5-difluorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-fluoro-5-methoxyphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;1-[3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenyl]ethanone;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;3-(4H-pyrazol-3-ylmethylsulfanyl)-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazole (CID 157148842) is 5-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3,5-difluorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-fluoro-5-methoxyphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;1-[3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenyl]ethanone;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;3-(4H-pyrazol-3-ylmethylsulfanyl)-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3,5-difluorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-fluoro-5-methoxyphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;1-[3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenyl]ethanone;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;3-(4H-pyrazol-3-ylmethylsulfanyl)-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3,5-difluorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-fluoro-5-methoxyphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;1-[3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenyl]ethanone;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;3-(4H-pyrazol-3-ylmethylsulfanyl)-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazole is C1=NN=C(CSc2n[nH]c(-c3ccc(-c4cccc5cccnc45)o3)n2)C1.CC(=O)c1cccc(-c2ccc(-c3nc(SCC4=NN=CC4)n[nH]3)o2)c1.COc1cc(-c2ccc(-c3nc(SCC4=NN=CC4)n[nH]3)o2)cc(C(F)(F)F)c1.COc1cc(F)cc(-c2ccc(-c3nc(SCC4=NN=CC4)n[nH]3)o2)c1.FC(F)(F)c1cc(-c2ccc(-c3nc(SCC4=NN=CC4)n[nH]3)o2)ccc1Cl.FC(F)(F)c1cccc(-c2ccc(-c3nc(SCC4=NN=CC4)n[nH]3)o2)c1.Fc1cc(F)cc(-c2ccc(-c3nc(SCC4=NN=CC4)n[nH]3)o2)c1.
What is the InChIKey of 5-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3,5-difluorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-fluoro-5-methoxyphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;1-[3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenyl]ethanone;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;3-(4H-pyrazol-3-ylmethylsulfanyl)-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazole?
The InChIKey is ALADLQOVDSSFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6OS.C18H14F3N5O2S.C18H15N5O2S.C17H11ClF3N5OS.C17H12F3N5OS.C17H14FN5O2S.C16H11F2N5OS/c1-3-12-4-2-9-20-17(12)14(5-1)15-6-7-16(26-15)18-22-19(25-24-18)27-11-13-8-10-21-23-13;1-27-13-7-10(6-11(8-13)18(19,20)21)14-2-3-15(28-14)16-23-17(26-25-16)29-9-12-4-5-22-24-12;1-11(24)12-3-2-4-13(9-12)15-5-6-16(25-15)17-20-18(23-22-17)26-10-14-7-8-19-21-14;18-12-2-1-9(7-11(12)17(19,20)21)13-3-4-14(27-13)15-23-16(26-25-15)28-8-10-5-6-22-24-10;18-17(19,20)11-3-1-2-10(8-11)13-4-5-14(26-13)15-22-16(25-24-15)27-9-12-6-7-21-23-12;1-24-13-7-10(6-11(18)8-13)14-2-3-15(25-14)16-20-17(23-22-16)26-9-12-4-5-19-21-12;17-10-5-9(6-11(18)7-10)13-1-2-14(24-13)15-20-16(23-22-15)25-8-12-3-4-19-21-12/h1-7,9-10H,8,11H2,(H,22,24,25);2-3,5-8H,4,9H2,1H3,(H,23,25,26);2-6,8-9H,7,10H2,1H3,(H,20,22,23);1-4,6-7H,5,8H2,(H,23,25,26);1-5,7-8H,6,9H2,(H,22,24,25);2-3,5-8H,4,9H2,1H3,(H,20,22,23);1-2,4-7H,3,8H2,(H,20,22,23).
What are the key properties of 5-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3,5-difluorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-fluoro-5-methoxyphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;1-[3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenyl]ethanone;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;3-(4H-pyrazol-3-ylmethylsulfanyl)-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazole?
5-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3,5-difluorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-fluoro-5-methoxyphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;1-[3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenyl]ethanone;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;3-(4H-pyrazol-3-ylmethylsulfanyl)-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazole has a molecular weight of 2709.21 g/mol, XLogP of 30.48, 38 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3,5-difluorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-fluoro-5-methoxyphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;1-[3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenyl]ethanone;8-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;3-(4H-pyrazol-3-ylmethylsulfanyl)-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 157148842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).