About 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;N-cyclopropyl-4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzamide;ethyl 4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzoate;1-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-(5-quinoxalin-6-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;N-cyclopropyl-4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzamide;ethyl 4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzoate;1-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-(5-quinoxalin-6-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (PubChem CID 158259246) has the molecular formula C138H118Cl2F3N29O24S8
and a molecular weight of 2951.08 g/mol. Its IUPAC name is 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;N-cyclopropyl-4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzamide;ethyl 4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzoate;1-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-(5-quinoxalin-6-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.
Frequently Asked Questions
What is the IUPAC name of 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;N-cyclopropyl-4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzamide;ethyl 4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzoate;1-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-(5-quinoxalin-6-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?
The IUPAC name of 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;N-cyclopropyl-4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzamide;ethyl 4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzoate;1-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-(5-quinoxalin-6-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (CID 158259246) is 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;N-cyclopropyl-4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzamide;ethyl 4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzoate;1-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-(5-quinoxalin-6-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.
What is the SMILES notation for 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;N-cyclopropyl-4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzamide;ethyl 4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzoate;1-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-(5-quinoxalin-6-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?
The canonical SMILES for 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;N-cyclopropyl-4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzamide;ethyl 4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzoate;1-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-(5-quinoxalin-6-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is C=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(C(=O)NC4CC4)cc3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(C(=O)OCC)cc3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(N)c3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4ccc(OC(F)(F)F)c(Cl)c4)c3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3ccccc3Cl)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4nccnc4c3)o2)n1.COc1ccc(-c2ccc(-c3nc(SCC(C)=O)n[nH]3)o2)cc1.
What is the InChIKey of 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;N-cyclopropyl-4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzamide;ethyl 4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzoate;1-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-(5-quinoxalin-6-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?
The InChIKey is NYRQGBMHOXMSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O4S.C19H18N4O3S.C18H17N3O4S.C17H13N5O2S.C16H15N3O3S.C15H12ClN3O2S.C15H12N4O4S.C15H14N4O2S/c1-13(31)12-35-22-28-21(29-30-22)20-8-7-18(33-20)15-3-2-4-16(10-15)32-11-14-5-6-19(17(24)9-14)34-23(25,26)27;1-11(24)10-27-19-21-17(22-23-19)16-9-8-15(26-16)12-2-4-13(5-3-12)18(25)20-14-6-7-14;1-3-24-17(23)13-6-4-12(5-7-13)14-8-9-15(25-14)16-19-18(21-20-16)26-10-11(2)22;1-10(23)9-25-17-20-16(21-22-17)15-5-4-14(24-15)11-2-3-12-13(8-11)19-7-6-18-12;1-10(20)9-23-16-17-15(18-19-16)14-8-7-13(22-14)11-3-5-12(21-2)6-4-11;1-9(20)8-22-15-17-14(18-19-15)13-7-6-12(21-13)10-4-2-3-5-11(10)16;1-9(20)8-24-15-16-14(17-18-15)13-7-6-12(23-13)10-2-4-11(5-3-10)19(21)22;1-9(20)8-22-15-17-14(18-19-15)13-6-5-12(21-13)10-3-2-4-11(16)7-10/h2-10,31H,1,11-12H2,(H,28,29,30);2-5,8-9,14,24H,1,6-7,10H2,(H,20,25)(H,21,22,23);4-9,22H,2-3,10H2,1H3,(H,19,20,21);2-8H,9H2,1H3,(H,20,21,22);3-8H,9H2,1-2H3,(H,17,18,19);2-7,20H,1,8H2,(H,17,18,19);2-7H,8H2,1H3,(H,16,17,18);2-7,20H,1,8,16H2,(H,17,18,19).
What are the key properties of 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;N-cyclopropyl-4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzamide;ethyl 4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzoate;1-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-(5-quinoxalin-6-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?
3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;N-cyclopropyl-4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzamide;ethyl 4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzoate;1-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-(5-quinoxalin-6-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one has a molecular weight of 2951.08 g/mol, XLogP of 33.01, 50 rotatable bonds, 15 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;N-cyclopropyl-4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzamide;ethyl 4-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzoate;1-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-(5-quinoxalin-6-ylfuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is sourced from PubChem (CID 158259246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).