4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol)

C124H96Cl7N35O3S14 — CID 160740603

About 4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol)

4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol) (PubChem CID 160740603) has the molecular formula C124H96Cl7N35O3S14 and a molecular weight of 2821.48 g/mol. Its IUPAC name is 4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol).

Molecular Properties

• Compound Name: 4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol)
• PubChem CID: 160740603
• Molecular Formula: C124H96Cl7N35O3S14
• Molecular Weight: 2821.48 g/mol
• Exact Mass: 2815.23
• IUPAC Name: 4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol)
• SMILES: COc1cc(C)cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.CSc1nc(Cl)cc(Sc2n[nH]c(-c3ccc(C)cc3)n2)n1.CSc1nc(Cl)cc(Sc2n[nH]c(-c3cccc(C)c3)n2)n1.Cc1cc(O)cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.Cc1cc(O)cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.Cc1ccc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)cc1.Cc1cccc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1
• InChI: InChI=1S/C20H16ClN5OS2.2C19H14ClN5OS2.2C19H14ClN5S2.2C14H12ClN5S2/c1-12-8-13(10-14(9-12)27-2)18-24-20(26-25-18)29-17-11-16(21)22-19(23-17)28-15-6-4-3-5-7-15;2*1-11-7-12(9-13(26)8-11)17-23-19(25-24-17)28-16-10-15(20)21-18(22-16)27-14-5-3-2-4-6-14;1-12-6-5-7-13(10-12)17-23-19(25-24-17)27-16-11-15(20)21-18(22-16)26-14-8-3-2-4-9-14;1-12-7-9-13(10-8-12)17-23-19(25-24-17)27-16-11-15(20)21-18(22-16)26-14-5-3-2-4-6-14;1-8-3-5-9(6-4-8)12-18-14(20-19-12)22-11-7-10(15)16-13(17-11)21-2;1-8-4-3-5-9(6-8)12-18-14(20-19-12)22-11-7-10(15)16-13(17-11)21-2/h3-11H,1-2H3,(H,24,25,26);2*2-10,26H,1H3,(H,23,24,25);2*2-11H,1H3,(H,23,24,25);2*3-7H,1-2H3,(H,18,19,20)
• InChIKey: RVNJGJHDMJCKNM-UHFFFAOYSA-N
• XLogP: 35.24
• TPSA: 521.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 34
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2821.48
LogP ≤ 5	35.24
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol)?

The IUPAC name of 4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol) (CID 160740603) is 4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol).

What is the SMILES notation for 4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol)?

The canonical SMILES for 4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol) is COc1cc(C)cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.CSc1nc(Cl)cc(Sc2n[nH]c(-c3ccc(C)cc3)n2)n1.CSc1nc(Cl)cc(Sc2n[nH]c(-c3cccc(C)c3)n2)n1.Cc1cc(O)cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.Cc1cc(O)cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.Cc1ccc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)cc1.Cc1cccc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.

What is the InChIKey of 4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol)?

The InChIKey is RVNJGJHDMJCKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5OS2.2C19H14ClN5OS2.2C19H14ClN5S2.2C14H12ClN5S2/c1-12-8-13(10-14(9-12)27-2)18-24-20(26-25-18)29-17-11-16(21)22-19(23-17)28-15-6-4-3-5-7-15;2*1-11-7-12(9-13(26)8-11)17-23-19(25-24-17)28-16-10-15(20)21-18(22-16)27-14-5-3-2-4-6-14;1-12-6-5-7-13(10-12)17-23-19(25-24-17)27-16-11-15(20)21-18(22-16)26-14-8-3-2-4-9-14;1-12-7-9-13(10-8-12)17-23-19(25-24-17)27-16-11-15(20)21-18(22-16)26-14-5-3-2-4-6-14;1-8-3-5-9(6-4-8)12-18-14(20-19-12)22-11-7-10(15)16-13(17-11)21-2;1-8-4-3-5-9(6-8)12-18-14(20-19-12)22-11-7-10(15)16-13(17-11)21-2/h3-11H,1-2H3,(H,24,25,26);2*2-10,26H,1H3,(H,23,24,25);2*2-11H,1H3,(H,23,24,25);2*3-7H,1-2H3,(H,18,19,20).

What are the key properties of 4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol)?

4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol) has a molecular weight of 2821.48 g/mol, XLogP of 35.24, 34 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-[[5-(3-methoxy-5-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;bis(3-[3-(6-chloro-2-phenylsulfanylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]-5-methylphenol) is sourced from PubChem (CID 160740603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).