3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole

C18H17Cl2N3S — CID 18292838

IUPAC3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole
SMILESCCn1c(SC(C)c2ccccc2Cl)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2N3S/c1-3-23-17(13-8-10-14(19)11-9-13)21-22-18(23)24-12(2)15-6-4-5-7-16(15)20/h4-12H,3H2,1-2H3
InChIKeyOYCRRFVBFXJDTJ-UHFFFAOYSA-N
MW378.33 g/mol
LogP6.13
Rot. Bonds5

About 3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole

3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole (PubChem CID 18292838) has the molecular formula C18H17Cl2N3S and a molecular weight of 378.33 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole
PubChem CID18292838
Molecular FormulaC18H17Cl2N3S
Molecular Weight378.33 g/mol
Exact Mass377.05
IUPAC Name3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole
SMILESCCn1c(SC(C)c2ccccc2Cl)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2N3S/c1-3-23-17(13-8-10-14(19)11-9-13)21-22-18(23)24-12(2)15-6-4-5-7-16(15)20/h4-12H,3H2,1-2H3
InChIKeyOYCRRFVBFXJDTJ-UHFFFAOYSA-N
XLogP6.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.33
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-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

3-[1-(2-chlorophenyl)ethylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole
CID 16518810
3-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 8025445
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-chlorophenyl)methyl]propanamide
CID 55418573
3-[(1R)-1-(2-chlorophenyl)ethyl]sulfanyl-4,5-diphenyl-1,2,4-triazole
CID 7841267
3-(4-chlorophenyl)-4-ethyl-5-ethylsulfanyl-1,2,4-triazole
CID 967172
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 18134997
(2S)-1-(4-chlorophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 7239856
N-carbamoyl-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide
CID 42978169
(2R)-2-[[5-(4-chlorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7276977
(2R)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)propanamide
CID 2615962
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 1289343
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)propanamide
CID 55418652

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole (CID 18292838) is 3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole is CCn1c(SC(C)c2ccccc2Cl)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole?
The InChIKey is OYCRRFVBFXJDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3S/c1-3-23-17(13-8-10-14(19)11-9-13)21-22-18(23)24-12(2)15-6-4-5-7-16(15)20/h4-12H,3H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole?
3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole has a molecular weight of 378.33 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)ethylsulfanyl]-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 18292838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).