3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole

C26H20ClN3S — CID 126101306

IUPAC3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole
SMILESCc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H20ClN3S/c1-18-6-14-24(15-7-18)30-25(21-10-12-23(27)13-11-21)28-29-26(30)31-17-19-8-9-20-4-2-3-5-22(20)16-19/h2-16H,17H2,1H3
InChIKeyGUGGQZUIEXPQTJ-UHFFFAOYSA-N
MW441.99 g/mol
LogP7.34
Rot. Bonds5

About 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole

3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole (PubChem CID 126101306) has the molecular formula C26H20ClN3S and a molecular weight of 441.99 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole
PubChem CID126101306
Molecular FormulaC26H20ClN3S
Molecular Weight441.99 g/mol
Exact Mass441.11
IUPAC Name3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole
SMILESCc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H20ClN3S/c1-18-6-14-24(15-7-18)30-25(21-10-12-23(27)13-11-21)28-29-26(30)31-17-19-8-9-20-4-2-3-5-22(20)16-19/h2-16H,17H2,1H3
InChIKeyGUGGQZUIEXPQTJ-UHFFFAOYSA-N
XLogP7.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.99
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-chlorophenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 126109039
3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylsulfanyl]-4-(4-ethylphenyl)-1,2,4-triazole
CID 126109136
4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 3435788
3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole
CID 126111221
3,4-bis(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 2048039
3-[(4-chlorophenyl)methylsulfanyl]-4-(3-methylphenyl)-5-phenyl-1,2,4-triazole
CID 126100704
3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole
CID 4663466
3-(3-methylphenyl)-4-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 3493271
4-(4-chlorophenyl)-3-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 126107611
4-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridin-2-amine
CID 99800781
4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole
CID 126096387
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthalen-2-ylethylideneamino)acetamide
CID 4527896

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole?
The IUPAC name of 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole (CID 126101306) is 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole is Cc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole?
The InChIKey is GUGGQZUIEXPQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3S/c1-18-6-14-24(15-7-18)30-25(21-10-12-23(27)13-11-21)28-29-26(30)31-17-19-8-9-20-4-2-3-5-22(20)16-19/h2-16H,17H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole?
3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole has a molecular weight of 441.99 g/mol, XLogP of 7.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazole is sourced from PubChem (CID 126101306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).