5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile

C153H179N19O16S11 — CID 158437115

About 5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile

5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile (PubChem CID 158437115) has the molecular formula C153H179N19O16S11 and a molecular weight of 2892.97 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile.

Molecular Properties

• Compound Name: 5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile
• PubChem CID: 158437115
• Molecular Formula: C153H179N19O16S11
• Molecular Weight: 2892.97 g/mol
• Exact Mass: 2890.07
• IUPAC Name: 5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile
• SMILES: CCc1c(C)nc2sc(C(=O)SC(C)(C)C)cc2c1C.COCCN1CCN(CCOc2c(C)nc3sc(C(=O)OC(C)(C)C)c(N)c3c2C)CC1.COc1ccc(-c2sc3nc4c(c(-c5cccs5)c3c2C#N)CCCCC4)cc1.COc1ccc(Nc2sc3nc4c(c(-c5cccs5)c3c2C#N)CCCCC4)cc1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCCN(C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCOCC1.N#Cc1c(-c2ccc3c(c2)OCO3)sc2nc3c(c(-c4cccs4)c12)CCCCC3
• InChI: InChI=1S/C24H21N3OS2.C24H18N2O2S2.C24H20N2OS2.C23H36N4O4S.C22H34N4O3S.C20H29N3O4S.C16H21NOS2/c1-28-16-11-9-15(10-12-16)26-23-18(14-25)22-21(20-8-5-13-29-20)17-6-3-2-4-7-19(17)27-24(22)30-23;25-12-16-22-21(20-7-4-10-29-20)15-5-2-1-3-6-17(15)26-24(22)30-23(16)14-8-9-18-19(11-14)28-13-27-18;1-27-16-11-9-15(10-12-16)23-18(14-25)22-21(20-8-5-13-28-20)17-6-3-2-4-7-19(17)26-24(22)29-23;1-15-17-18(24)20(22(28)31-23(3,4)5)32-21(17)25-16(2)19(15)30-14-12-27-9-7-26(8-10-27)11-13-29-6;1-14-16-17(23)19(21(27)29-22(3,4)5)30-20(16)24-15(2)18(14)28-13-12-26-9-7-8-25(6)10-11-26;1-12-14-15(21)17(19(24)27-20(3,4)5)28-18(14)22-13(2)16(12)26-11-8-23-6-9-25-10-7-23;1-7-11-9(2)12-8-13(15(18)20-16(4,5)6)19-14(12)17-10(11)3/h5,8-13,26H,2-4,6-7H2,1H3;4,7-11H,1-3,5-6,13H2;5,8-13H,2-4,6-7H2,1H3;7-14,24H2,1-6H3;7-13,23H2,1-6H3;6-11,21H2,1-5H3;8H,7H2,1-6H3
• InChIKey: HCJCKJBAJWDSBS-UHFFFAOYSA-N
• XLogP: 35.19
• TPSA: 446.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 46
• Rotatable Bonds: 29
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2892.97
LogP ≤ 5	35.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile?

The IUPAC name of 5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile (CID 158437115) is 5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile.

What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile?

The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile is CCc1c(C)nc2sc(C(=O)SC(C)(C)C)cc2c1C.COCCN1CCN(CCOc2c(C)nc3sc(C(=O)OC(C)(C)C)c(N)c3c2C)CC1.COc1ccc(-c2sc3nc4c(c(-c5cccs5)c3c2C#N)CCCCC4)cc1.COc1ccc(Nc2sc3nc4c(c(-c5cccs5)c3c2C#N)CCCCC4)cc1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCCN(C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCOCC1.N#Cc1c(-c2ccc3c(c2)OCO3)sc2nc3c(c(-c4cccs4)c12)CCCCC3.

What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile?

The InChIKey is HCJCKJBAJWDSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS2.C24H18N2O2S2.C24H20N2OS2.C23H36N4O4S.C22H34N4O3S.C20H29N3O4S.C16H21NOS2/c1-28-16-11-9-15(10-12-16)26-23-18(14-25)22-21(20-8-5-13-29-20)17-6-3-2-4-7-19(17)27-24(22)30-23;25-12-16-22-21(20-7-4-10-29-20)15-5-2-1-3-6-17(15)26-24(22)30-23(16)14-8-9-18-19(11-14)28-13-27-18;1-27-16-11-9-15(10-12-16)23-18(14-25)22-21(20-8-5-13-28-20)17-6-3-2-4-7-19(17)26-24(22)29-23;1-15-17-18(24)20(22(28)31-23(3,4)5)32-21(17)25-16(2)19(15)30-14-12-27-9-7-26(8-10-27)11-13-29-6;1-14-16-17(23)19(21(27)29-22(3,4)5)30-20(16)24-15(2)18(14)28-13-12-26-9-7-8-25(6)10-11-26;1-12-14-15(21)17(19(24)27-20(3,4)5)28-18(14)22-13(2)16(12)26-11-8-23-6-9-25-10-7-23;1-7-11-9(2)12-8-13(15(18)20-16(4,5)6)19-14(12)17-10(11)3/h5,8-13,26H,2-4,6-7H2,1H3;4,7-11H,1-3,5-6,13H2;5,8-13H,2-4,6-7H2,1H3;7-14,24H2,1-6H3;7-13,23H2,1-6H3;6-11,21H2,1-5H3;8H,7H2,1-6H3.

What are the key properties of 5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile?

5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile has a molecular weight of 2892.97 g/mol, XLogP of 35.19, 29 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzodioxol-5-yl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;5-(4-methoxyanilino)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile;5-(4-methoxyphenyl)-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-6-carbonitrile is sourced from PubChem (CID 158437115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).