About 2-[[4-benzyl-5-(6-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-tert-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-pyridin-3-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
2-[[4-benzyl-5-(6-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-tert-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-pyridin-3-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 160685584) has the molecular formula C172H154F7N41O8S8
and a molecular weight of 3312.92 g/mol. Its IUPAC name is 2-[[4-benzyl-5-(6-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-tert-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-pyridin-3-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Frequently Asked Questions
What is the IUPAC name of 2-[[4-benzyl-5-(6-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-tert-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-pyridin-3-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-benzyl-5-(6-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-tert-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-pyridin-3-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 160685584) is 2-[[4-benzyl-5-(6-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-tert-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-pyridin-3-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-benzyl-5-(6-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-tert-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-pyridin-3-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-benzyl-5-(6-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-tert-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-pyridin-3-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CC(C)(C)n1c(SCC(=O)Nc2ccccc2)nnc1-c1cccnc1.CC(Sc1nnc(-c2cccnc2)n1C(C)c1ccccc1)C(=O)Nc1ccccc1.CC(c1ccccc1)n1c(SCC(=O)Nc2ccccc2)nnc1-c1cccnc1.CN(C)c1ccc(Cn2c(SCC(=O)Nc3ccccc3)nnc2-c2cccnc2)cc1.O=C(CSc1nnc(-c2ccc(F)nc2)n1Cc1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2cccnc2)n1C(F)(F)F)Nc1ccccc1.O=C(CSc1nnc(-c2cccnc2)n1C(F)(F)c1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2cccnc2)n1Cc1ccc(F)cc1)Nc1ccccc1.
What is the InChIKey of 2-[[4-benzyl-5-(6-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-tert-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-pyridin-3-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is ROSIPSYZBFAVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6OS.C24H23N5OS.C23H21N5OS.C22H17F2N5OS.2C22H18FN5OS.C19H21N5OS.C16H12F3N5OS/c1-29(2)21-12-10-18(11-13-21)16-30-23(19-7-6-14-25-15-19)27-28-24(30)32-17-22(31)26-20-8-4-3-5-9-20;1-17(19-10-5-3-6-11-19)29-22(20-12-9-15-25-16-20)27-28-24(29)31-18(2)23(30)26-21-13-7-4-8-14-21;1-17(18-9-4-2-5-10-18)28-22(19-11-8-14-24-15-19)26-27-23(28)30-16-21(29)25-20-12-6-3-7-13-20;23-22(24,17-9-3-1-4-10-17)29-20(16-8-7-13-25-14-16)27-28-21(29)31-15-19(30)26-18-11-5-2-6-12-18;23-19-12-11-17(13-24-19)21-26-27-22(28(21)14-16-7-3-1-4-8-16)30-15-20(29)25-18-9-5-2-6-10-18;23-18-10-8-16(9-11-18)14-28-21(17-5-4-12-24-13-17)26-27-22(28)30-15-20(29)25-19-6-2-1-3-7-19;1-19(2,3)24-17(14-8-7-11-20-12-14)22-23-18(24)26-13-16(25)21-15-9-5-4-6-10-15;17-16(18,19)24-14(11-5-4-8-20-9-11)22-23-15(24)26-10-13(25)21-12-6-2-1-3-7-12/h3-15H,16-17H2,1-2H3,(H,26,31);3-18H,1-2H3,(H,26,30);2-15,17H,16H2,1H3,(H,25,29);1-14H,15H2,(H,26,30);2*1-13H,14-15H2,(H,25,29);4-12H,13H2,1-3H3,(H,21,25);1-9H,10H2,(H,21,25).
What are the key properties of 2-[[4-benzyl-5-(6-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-tert-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-pyridin-3-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[4-benzyl-5-(6-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-tert-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-pyridin-3-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 3312.92 g/mol, XLogP of 34.49, 53 rotatable bonds, 8 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-benzyl-5-(6-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-tert-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide;N-phenyl-2-[[5-pyridin-3-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 160685584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).