2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

C176H187F2N47O15S10 — CID 160901847

IUPAC2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCC(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(C)ccn1.CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2CC)nc1.CCn1c(SC(C)C(=O)Nc2ccccc2)nnc1-c1ncc(F)cc1F.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(C)ccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)(C)C)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(O)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(S(=O)(=O)N(C)C)cn1.Cc1ccnc(-c2nnc(SCC(=O)Nc3ccccc3)n2C(=O)OC(C)(C)C)c1.Cc1ccnc(-c2nnc(SCC(=O)Nc3ccccc3)n2Cc2ccccc2)c1
InChIInChI=1S/C23H21N5OS.C21H26N6OS.C21H23N5O3S.C21H25N5OS.C19H22N6O3S2.C18H17F2N5OS.C18H17N5O2S.C18H19N5OS.C17H17N5O2S/c1-17-12-13-24-20(14-17)22-26-27-23(28(22)15-18-8-4-2-5-9-18)30-16-21(29)25-19-10-6-3-7-11-19;1-4-26(5-2)17-12-13-18(22-14-17)20-24-25-21(27(20)6-3)29-15-19(28)23-16-10-8-7-9-11-16;1-14-10-11-22-16(12-14)18-24-25-19(26(18)20(28)29-21(2,3)4)30-13-17(27)23-15-8-6-5-7-9-15;1-5-26-19(17-12-11-15(13-22-17)21(2,3)4)24-25-20(26)28-14-18(27)23-16-9-7-6-8-10-16;1-4-25-18(16-11-10-15(12-20-16)30(27,28)24(2)3)22-23-19(25)29-13-17(26)21-14-8-6-5-7-9-14;1-3-25-16(15-14(20)9-12(19)10-21-15)23-24-18(25)27-11(2)17(26)22-13-7-5-4-6-8-13;1-12-8-9-19-15(10-12)17-21-22-18(23(17)13(2)24)26-11-16(25)20-14-6-4-3-5-7-14;1-3-23-17(15-11-13(2)9-10-19-15)21-22-18(23)25-12-16(24)20-14-7-5-4-6-8-14;1-2-22-16(14-9-8-13(23)10-18-14)20-21-17(22)25-11-15(24)19-12-6-4-3-5-7-12/h2-14H,15-16H2,1H3,(H,25,29);7-14H,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);5-12H,4,13H2,1-3H3,(H,21,26);4-11H,3H2,1-2H3,(H,22,26);3-10H,11H2,1-2H3,(H,20,25);4-11H,3,12H2,1-2H3,(H,20,24);3-10,23H,2,11H2,1H3,(H,19,24)
InChIKeySPPMYKWZYSOFEG-UHFFFAOYSA-N
MW3559.41 g/mol
LogP32.25
Rot. Bonds58

About 2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 160901847) has the molecular formula C176H187F2N47O15S10 and a molecular weight of 3559.41 g/mol. Its IUPAC name is 2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
PubChem CID160901847
Molecular FormulaC176H187F2N47O15S10
Molecular Weight3559.41 g/mol
Exact Mass3556.25
IUPAC Name2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCC(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(C)ccn1.CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2CC)nc1.CCn1c(SC(C)C(=O)Nc2ccccc2)nnc1-c1ncc(F)cc1F.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(C)ccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)(C)C)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(O)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(S(=O)(=O)N(C)C)cn1.Cc1ccnc(-c2nnc(SCC(=O)Nc3ccccc3)n2C(=O)OC(C)(C)C)c1.Cc1ccnc(-c2nnc(SCC(=O)Nc3ccccc3)n2Cc2ccccc2)c1
InChIInChI=1S/C23H21N5OS.C21H26N6OS.C21H23N5O3S.C21H25N5OS.C19H22N6O3S2.C18H17F2N5OS.C18H17N5O2S.C18H19N5OS.C17H17N5O2S/c1-17-12-13-24-20(14-17)22-26-27-23(28(22)15-18-8-4-2-5-9-18)30-16-21(29)25-19-10-6-3-7-11-19;1-4-26(5-2)17-12-13-18(22-14-17)20-24-25-21(27(20)6-3)29-15-19(28)23-16-10-8-7-9-11-16;1-14-10-11-22-16(12-14)18-24-25-19(26(18)20(28)29-21(2,3)4)30-13-17(27)23-15-8-6-5-7-9-15;1-5-26-19(17-12-11-15(13-22-17)21(2,3)4)24-25-20(26)28-14-18(27)23-16-9-7-6-8-10-16;1-4-25-18(16-11-10-15(12-20-16)30(27,28)24(2)3)22-23-19(25)29-13-17(26)21-14-8-6-5-7-9-14;1-3-25-16(15-14(20)9-12(19)10-21-15)23-24-18(25)27-11(2)17(26)22-13-7-5-4-6-8-13;1-12-8-9-19-15(10-12)17-21-22-18(23(17)13(2)24)26-11-16(25)20-14-6-4-3-5-7-14;1-3-23-17(15-11-13(2)9-10-19-15)21-22-18(23)25-12-16(24)20-14-7-5-4-6-8-14;1-2-22-16(14-9-8-13(23)10-18-14)20-21-17(22)25-11-15(24)19-12-6-4-3-5-7-12/h2-14H,15-16H2,1H3,(H,25,29);7-14H,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);5-12H,4,13H2,1-3H3,(H,21,26);4-11H,3H2,1-2H3,(H,22,26);3-10H,11H2,1-2H3,(H,20,25);4-11H,3,12H2,1-2H3,(H,20,24);3-10,23H,2,11H2,1H3,(H,19,24)
InChIKeySPPMYKWZYSOFEG-UHFFFAOYSA-N
XLogP32.25
TPSA758.52 Ų
H-Bond Donors10
H-Bond Acceptors61
Rotatable Bonds58
Heavy Atoms250
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003559.41
LogP ≤ 532.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1061

Analyze 2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CID 160901847) is 2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is CC(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(C)ccn1.CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2CC)nc1.CCn1c(SC(C)C(=O)Nc2ccccc2)nnc1-c1ncc(F)cc1F.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(C)ccn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C(C)(C)C)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(O)cn1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(S(=O)(=O)N(C)C)cn1.Cc1ccnc(-c2nnc(SCC(=O)Nc3ccccc3)n2C(=O)OC(C)(C)C)c1.Cc1ccnc(-c2nnc(SCC(=O)Nc3ccccc3)n2Cc2ccccc2)c1.
What is the InChIKey of 2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is SPPMYKWZYSOFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS.C21H26N6OS.C21H23N5O3S.C21H25N5OS.C19H22N6O3S2.C18H17F2N5OS.C18H17N5O2S.C18H19N5OS.C17H17N5O2S/c1-17-12-13-24-20(14-17)22-26-27-23(28(22)15-18-8-4-2-5-9-18)30-16-21(29)25-19-10-6-3-7-11-19;1-4-26(5-2)17-12-13-18(22-14-17)20-24-25-21(27(20)6-3)29-15-19(28)23-16-10-8-7-9-11-16;1-14-10-11-22-16(12-14)18-24-25-19(26(18)20(28)29-21(2,3)4)30-13-17(27)23-15-8-6-5-7-9-15;1-5-26-19(17-12-11-15(13-22-17)21(2,3)4)24-25-20(26)28-14-18(27)23-16-9-7-6-8-10-16;1-4-25-18(16-11-10-15(12-20-16)30(27,28)24(2)3)22-23-19(25)29-13-17(26)21-14-8-6-5-7-9-14;1-3-25-16(15-14(20)9-12(19)10-21-15)23-24-18(25)27-11(2)17(26)22-13-7-5-4-6-8-13;1-12-8-9-19-15(10-12)17-21-22-18(23(17)13(2)24)26-11-16(25)20-14-6-4-3-5-7-14;1-3-23-17(15-11-13(2)9-10-19-15)21-22-18(23)25-12-16(24)20-14-7-5-4-6-8-14;1-2-22-16(14-9-8-13(23)10-18-14)20-21-17(22)25-11-15(24)19-12-6-4-3-5-7-12/h2-14H,15-16H2,1H3,(H,25,29);7-14H,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);5-12H,4,13H2,1-3H3,(H,21,26);4-11H,3H2,1-2H3,(H,22,26);3-10H,11H2,1-2H3,(H,20,25);4-11H,3,12H2,1-2H3,(H,20,24);3-10,23H,2,11H2,1H3,(H,19,24).
What are the key properties of 2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 3559.41 g/mol, XLogP of 32.25, 58 rotatable bonds, 10 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-acetyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-benzyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazole-4-carboxylate;2-[[5-(5-tert-butyl-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-[5-(diethylamino)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide;2-[[5-[5-(dimethylsulfamoyl)-2-pyridinyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(5-hydroxy-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-ethyl-5-(4-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 160901847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).