About 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide
2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide (PubChem CID 157400831) has the molecular formula C166H152N40O18S11
and a molecular weight of 3348.04 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide (CID 157400831) is 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide is CCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1-c1cccnc1.COC(Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccnc1)OC.CS(=O)(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1cccnc1.Cc1ccc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3)nnc2-c2cccnc2)cc1.O=C(CSc1nnc(-c2cccnc2)n1CC1OCCO1)Nc1ccccc1.O=C(CSc1nnc(-c2cccnc2)n1Cc1cccc2ccccc12)Nc1ccccc1.O=C(CSc1nnc(-c2cccnc2)n1S(=O)(=O)c1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C1(Sc2nnc(-c3cccnc3)n2-c2ccccc2)CC1.
What is the InChIKey of 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?
The InChIKey is BNDGFYMPEJIXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5OS.C23H19N5OS.C22H19N5O3S2.C21H17N5O3S2.C20H21N5OS.C19H19N5O3S.C19H21N5O3S.C16H15N5O3S2/c32-24(28-22-12-2-1-3-13-22)18-33-26-30-29-25(20-11-7-15-27-16-20)31(26)17-21-10-6-9-19-8-4-5-14-23(19)21;29-21(25-18-9-3-1-4-10-18)23(13-14-23)30-22-27-26-20(17-8-7-15-24-16-17)28(22)19-11-5-2-6-12-19;1-16-9-11-19(12-10-16)32(29,30)27-21(17-6-5-13-23-14-17)25-26-22(27)31-15-20(28)24-18-7-3-2-4-8-18;27-19(23-17-9-3-1-4-10-17)15-30-21-25-24-20(16-8-7-13-22-14-16)26(21)31(28,29)18-11-5-2-6-12-18;1-2-25-17(15-8-6-13-21-14-15)23-24-19(25)27-20(11-7-12-20)18(26)22-16-9-4-3-5-10-16;25-16(21-15-6-2-1-3-7-15)13-28-19-23-22-18(14-5-4-8-20-11-14)24(19)12-17-26-9-10-27-17;1-26-17(27-2)12-24-18(14-7-6-10-20-11-14)22-23-19(24)28-13-16(25)21-15-8-4-3-5-9-15;1-26(23,24)21-15(12-6-5-9-17-10-12)19-20-16(21)25-11-14(22)18-13-7-3-2-4-8-13/h1-16H,17-18H2,(H,28,32);1-12,15-16H,13-14H2,(H,25,29);2-14H,15H2,1H3,(H,24,28);1-14H,15H2,(H,23,27);3-6,8-10,13-14H,2,7,11-12H2,1H3,(H,22,26);1-8,11,17H,9-10,12-13H2,(H,21,25);3-11,17H,12-13H2,1-2H3,(H,21,25);2-10H,11H2,1H3,(H,18,22).
What are the key properties of 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide?
2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide has a molecular weight of 3348.04 g/mol, XLogP of 27.82, 55 rotatable bonds, 8 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2,2-dimethoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(1,3-dioxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide;2-[[4-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-methylsulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(naphthalen-1-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-1-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157400831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).