(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene

C131H108Cl5N23OS5 — CID 161060918

About (9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene

(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene (PubChem CID 161060918) has the molecular formula C131H108Cl5N23OS5 and a molecular weight of 2358.06 g/mol. Its IUPAC name is (9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene.

Molecular Properties

• Compound Name: (9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
• PubChem CID: 161060918
• Molecular Formula: C131H108Cl5N23OS5
• Molecular Weight: 2358.06 g/mol
• Exact Mass: 2353.62
• IUPAC Name: (9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
• SMILES: CCC[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C#Cc3ccccc3)c2C)-n2c(C)nnc21.CCC[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C#Cc3cccnc3)c2C)-n2c(C)nnc21.CC[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C#Cc3ccccc3)c2C)-n2c(C)nnc21.CC[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C#Cc3cccnc3)c2C)-n2c(C)nnc21.CNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C#Cc3ccccc3)c2C)-n2c(C)nnc21
• InChI: InChI=1S/C27H22ClN5OS.C27H23ClN4S.C26H22ClN5S.C26H21ClN4S.C25H20ClN5S/c1-16-22(14-9-18-7-5-4-6-8-18)35-27-24(16)25(19-10-12-20(28)13-11-19)30-21(15-23(34)29-3)26-32-31-17(2)33(26)27;1-4-8-22-26-31-30-18(3)32(26)27-24(25(29-22)20-12-14-21(28)15-13-20)17(2)23(33-27)16-11-19-9-6-5-7-10-19;1-4-6-21-25-31-30-17(3)32(25)26-23(24(29-21)19-9-11-20(27)12-10-19)16(2)22(33-26)13-8-18-7-5-14-28-15-18;1-4-21-25-30-29-17(3)31(25)26-23(24(28-21)19-11-13-20(27)14-12-19)16(2)22(32-26)15-10-18-8-6-5-7-9-18;1-4-20-24-30-29-16(3)31(24)25-22(23(28-20)18-8-10-19(26)11-9-18)15(2)21(32-25)12-7-17-6-5-13-27-14-17/h4-8,10-13,21H,15H2,1-3H3,(H,29,34);5-7,9-10,12-15,22H,4,8H2,1-3H3;5,7,9-12,14-15,21H,4,6H2,1-3H3;5-9,11-14,21H,4H2,1-3H3;5-6,8-11,13-14,20H,4H2,1-3H3/t21-;22-;2*21-;20-/m00000/s1
• InChIKey: UDJONZWJHFPHCL-SZZYJQRQSA-N
• XLogP: 29.80
• TPSA: 270.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2358.06
LogP ≤ 5	29.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene?

The IUPAC name of (9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene (CID 161060918) is (9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene.

What is the SMILES notation for (9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene?

The canonical SMILES for (9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene is CCC[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C#Cc3ccccc3)c2C)-n2c(C)nnc21.CCC[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C#Cc3cccnc3)c2C)-n2c(C)nnc21.CC[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C#Cc3ccccc3)c2C)-n2c(C)nnc21.CC[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C#Cc3cccnc3)c2C)-n2c(C)nnc21.CNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C#Cc3ccccc3)c2C)-n2c(C)nnc21.

What is the InChIKey of (9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene?

The InChIKey is UDJONZWJHFPHCL-SZZYJQRQSA-N. The full InChI is InChI=1S/C27H22ClN5OS.C27H23ClN4S.C26H22ClN5S.C26H21ClN4S.C25H20ClN5S/c1-16-22(14-9-18-7-5-4-6-8-18)35-27-24(16)25(19-10-12-20(28)13-11-19)30-21(15-23(34)29-3)26-32-31-17(2)33(26)27;1-4-8-22-26-31-30-18(3)32(26)27-24(25(29-22)20-12-14-21(28)15-13-20)17(2)23(33-27)16-11-19-9-6-5-7-10-19;1-4-6-21-25-31-30-17(3)32(25)26-23(24(29-21)19-9-11-20(27)12-10-19)16(2)22(33-26)13-8-18-7-5-14-28-15-18;1-4-21-25-30-29-17(3)31(25)26-23(24(28-21)19-11-13-20(27)14-12-19)16(2)22(32-26)15-10-18-8-6-5-7-9-18;1-4-20-24-30-29-16(3)31(24)25-22(23(28-20)18-8-10-19(26)11-9-18)15(2)21(32-25)12-7-17-6-5-13-27-14-17/h4-8,10-13,21H,15H2,1-3H3,(H,29,34);5-7,9-10,12-15,22H,4,8H2,1-3H3;5,7,9-12,14-15,21H,4,6H2,1-3H3;5-9,11-14,21H,4H2,1-3H3;5-6,8-11,13-14,20H,4H2,1-3H3/t21-;22-;2*21-;20-/m00000/s1.

What are the key properties of (9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene?

(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene has a molecular weight of 2358.06 g/mol, XLogP of 29.80, 13 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-9-propyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;2-[(9S)-7-(4-chlorophenyl)-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-methylacetamide;(9S)-7-(4-chlorophenyl)-5,13-dimethyl-9-propyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-phenylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene;(9S)-7-(4-chlorophenyl)-9-ethyl-5,13-dimethyl-4-(2-pyridin-3-ylethynyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene is sourced from PubChem (CID 161060918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).