(Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine

C19H14Cl2N4O3S — CID 51851534

About (Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine

(Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine (PubChem CID 51851534) has the molecular formula C19H14Cl2N4O3S and a molecular weight of 449.32 g/mol. Its IUPAC name is (Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine.

Molecular Properties

• Compound Name: (Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine
• PubChem CID: 51851534
• Molecular Formula: C19H14Cl2N4O3S
• Molecular Weight: 449.32 g/mol
• Exact Mass: 448.02
• IUPAC Name: (Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine
• SMILES: CSc1nnc(-c2ccco2)n1/N=C\c1ccc(COc2ccc(Cl)cc2Cl)o1
• InChI: InChI=1S/C19H14Cl2N4O3S/c1-29-19-24-23-18(17-3-2-8-26-17)25(19)22-10-13-5-6-14(28-13)11-27-16-7-4-12(20)9-15(16)21/h2-10H,11H2,1H3/b22-10-
• InChIKey: DRIVNZNFPPZHPG-YVNNLAQVSA-N
• XLogP: 5.62
• TPSA: 78.58 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.32
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine?

The IUPAC name of (Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine (CID 51851534) is (Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine.

What is the SMILES notation for (Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine?

The canonical SMILES for (Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine is CSc1nnc(-c2ccco2)n1/N=C\c1ccc(COc2ccc(Cl)cc2Cl)o1.

What is the InChIKey of (Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine?

The InChIKey is DRIVNZNFPPZHPG-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H14Cl2N4O3S/c1-29-19-24-23-18(17-3-2-8-26-17)25(19)22-10-13-5-6-14(28-13)11-27-16-7-4-12(20)9-15(16)21/h2-10H,11H2,1H3/b22-10-.

What are the key properties of (Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine?

(Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine has a molecular weight of 449.32 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]-N-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]methanimine is sourced from PubChem (CID 51851534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).