2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

C190H200ClF3N52O16S13 — CID 160699724

About 2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 160699724) has the molecular formula C190H200ClF3N52O16S13 and a molecular weight of 3977.36 g/mol. Its IUPAC name is 2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
• PubChem CID: 160699724
• Molecular Formula: C190H200ClF3N52O16S13
• Molecular Weight: 3977.36 g/mol
• Exact Mass: 3973.24
• IUPAC Name: 2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
• SMILES: CC(=O)n1c(SC(C)C(=O)Nc2ccccc2)nnc1-c1cncc(Cl)c1.CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2CC)cn1.CCn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1cnc(F)cc1F.CCn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1cncc(F)c1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(=O)[nH]c1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(=S)[nH]c1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)(C)C)nc1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(S(=O)(=O)N(C)C)nc1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(SC)nc1.Cc1cncc(-c2nnc(SCC(=O)Nc3ccccc3)n2C(=O)OC(C)(C)C)c1
• InChI: InChI=1S/C21H26N6OS.C21H23N5O3S.C21H25N5OS.C19H17F2N5OS.C19H18FN5OS.C19H22N6O3S2.C18H16ClN5O2S.C18H19N5OS2.C17H17N5O2S.C17H17N5OS2/c1-4-26(5-2)18-13-12-16(14-22-18)20-24-25-21(27(20)6-3)29-15-19(28)23-17-10-8-7-9-11-17;1-14-10-15(12-22-11-14)18-24-25-19(26(18)20(28)29-21(2,3)4)30-13-17(27)23-16-8-6-5-7-9-16;1-5-26-19(15-11-12-17(22-13-15)21(2,3)4)24-25-20(26)28-14-18(27)23-16-9-7-6-8-10-16;1-2-26-16(13-11-22-15(21)10-14(13)20)24-25-18(26)28-19(8-9-19)17(27)23-12-6-4-3-5-7-12;1-2-25-16(13-10-14(20)12-21-11-13)23-24-18(25)27-19(8-9-19)17(26)22-15-6-4-3-5-7-15;1-4-25-18(14-10-11-17(20-12-14)30(27,28)24(2)3)22-23-19(25)29-13-16(26)21-15-8-6-5-7-9-15;1-11(17(26)21-15-6-4-3-5-7-15)27-18-23-22-16(24(18)12(2)25)13-8-14(19)10-20-9-13;1-3-23-17(13-9-10-16(25-2)19-11-13)21-22-18(23)26-12-15(24)20-14-7-5-4-6-8-14;1-2-22-16(12-8-9-14(23)18-10-12)20-21-17(22)25-11-15(24)19-13-6-4-3-5-7-13;1-2-22-16(12-8-9-15(24)18-10-12)20-21-17(22)25-11-14(23)19-13-6-4-3-5-7-13/h7-14H,4-6,15H2,1-3H3,(H,23,28);5-12H,13H2,1-4H3,(H,23,27);6-13H,5,14H2,1-4H3,(H,23,27);3-7,10-11H,2,8-9H2,1H3,(H,23,27);3-7,10-12H,2,8-9H2,1H3,(H,22,26);5-12H,4,13H2,1-3H3,(H,21,26);3-11H,1-2H3,(H,21,26);4-11H,3,12H2,1-2H3,(H,20,24);3-10H,2,11H2,1H3,(H,18,23)(H,19,24);3-10H,2,11H2,1H3,(H,18,24)(H,19,23)
• InChIKey: RQLPXAVKABWNOD-UHFFFAOYSA-N
• XLogP: 36.22
• TPSA: 833.86 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 67
• Rotatable Bonds: 64
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3977.36
LogP ≤ 5	36.22
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	67

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?

The IUPAC name of 2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CID 160699724) is 2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

What is the SMILES notation for 2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?

The canonical SMILES for 2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is CC(=O)n1c(SC(C)C(=O)Nc2ccccc2)nnc1-c1cncc(Cl)c1.CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2CC)cn1.CCn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1cnc(F)cc1F.CCn1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1cncc(F)c1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(=O)[nH]c1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(=S)[nH]c1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)(C)C)nc1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(S(=O)(=O)N(C)C)nc1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(SC)nc1.Cc1cncc(-c2nnc(SCC(=O)Nc3ccccc3)n2C(=O)OC(C)(C)C)c1.

What is the InChIKey of 2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?

The InChIKey is RQLPXAVKABWNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS.C21H23N5O3S.C21H25N5OS.C19H17F2N5OS.C19H18FN5OS.C19H22N6O3S2.C18H16ClN5O2S.C18H19N5OS2.C17H17N5O2S.C17H17N5OS2/c1-4-26(5-2)18-13-12-16(14-22-18)20-24-25-21(27(20)6-3)29-15-19(28)23-17-10-8-7-9-11-17;1-14-10-15(12-22-11-14)18-24-25-19(26(18)20(28)29-21(2,3)4)30-13-17(27)23-16-8-6-5-7-9-16;1-5-26-19(15-11-12-17(22-13-15)21(2,3)4)24-25-20(26)28-14-18(27)23-16-9-7-6-8-10-16;1-2-26-16(13-11-22-15(21)10-14(13)20)24-25-18(26)28-19(8-9-19)17(27)23-12-6-4-3-5-7-12;1-2-25-16(13-10-14(20)12-21-11-13)23-24-18(25)27-19(8-9-19)17(26)22-15-6-4-3-5-7-15;1-4-25-18(14-10-11-17(20-12-14)30(27,28)24(2)3)22-23-19(25)29-13-16(26)21-15-8-6-5-7-9-15;1-11(17(26)21-15-6-4-3-5-7-15)27-18-23-22-16(24(18)12(2)25)13-8-14(19)10-20-9-13;1-3-23-17(13-9-10-16(25-2)19-11-13)21-22-18(23)26-12-15(24)20-14-7-5-4-6-8-14;1-2-22-16(12-8-9-14(23)18-10-12)20-21-17(22)25-11-15(24)19-13-6-4-3-5-7-13;1-2-22-16(12-8-9-15(24)18-10-12)20-21-17(22)25-11-14(23)19-13-6-4-3-5-7-13/h7-14H,4-6,15H2,1-3H3,(H,23,28);5-12H,13H2,1-4H3,(H,23,27);6-13H,5,14H2,1-4H3,(H,23,27);3-7,10-11H,2,8-9H2,1H3,(H,23,27);3-7,10-12H,2,8-9H2,1H3,(H,22,26);5-12H,4,13H2,1-3H3,(H,21,26);3-11H,1-2H3,(H,21,26);4-11H,3,12H2,1-2H3,(H,20,24);3-10H,2,11H2,1H3,(H,18,23)(H,19,24);3-10H,2,11H2,1H3,(H,18,24)(H,19,23).

What are the key properties of 2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?

2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 3977.36 g/mol, XLogP of 36.22, 64 rotatable bonds, 12 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-acetyl-5-(5-chloro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(5-methyl-3-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(6-tert-butyl-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[6-(diethylamino)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[5-(4,6-difluoro-3-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[5-[6-(dimethylsulfamoyl)-3-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;1-[[4-ethyl-5-(5-fluoro-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[[4-ethyl-5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-oxo-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(6-sulfanylidene-1H-pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 160699724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).