4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole

C19H19Cl2N3O2S — CID 4018016

IUPAC4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole
SMILESCCCSc1nnc(-c2cc(Cl)ccc2OC)n1-c1ccc(OC)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O2S/c1-4-9-27-19-23-22-18(14-10-12(20)5-7-16(14)25-2)24(19)13-6-8-17(26-3)15(21)11-13/h5-8,10-11H,4,9H2,1-3H3
InChIKeyMLGFGWPUTFPNNK-UHFFFAOYSA-N
MW424.35 g/mol
LogP5.76
Rot. Bonds7

About 4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole

4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole (PubChem CID 4018016) has the molecular formula C19H19Cl2N3O2S and a molecular weight of 424.35 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole
PubChem CID4018016
Molecular FormulaC19H19Cl2N3O2S
Molecular Weight424.35 g/mol
Exact Mass423.06
IUPAC Name4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole
SMILESCCCSc1nnc(-c2cc(Cl)ccc2OC)n1-c1ccc(OC)c(Cl)c1
InChIInChI=1S/C19H19Cl2N3O2S/c1-4-9-27-19-23-22-18(14-10-12(20)5-7-16(14)25-2)24(19)13-6-8-17(26-3)15(21)11-13/h5-8,10-11H,4,9H2,1-3H3
InChIKeyMLGFGWPUTFPNNK-UHFFFAOYSA-N
XLogP5.76
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.35
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole with MolForge

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Related Compounds

5-[[4-(3-chloro-4-methoxyphenyl)-5-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-ol
CID 52826288
2-[[4-(3-chloro-4-methoxyphenyl)-5-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 24576346
2-[[4-(3-chloro-4-methoxyphenyl)-5-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
CID 3989614
2-[[4-(3-chloro-4-methoxyphenyl)-5-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 18288091
6-amino-5-[2-[[4-(3-chloro-4-methoxyphenyl)-5-(5-chloro-2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2508350
4-(3-chloro-4-methoxyphenyl)-3-(2-phenoxyethylsulfanyl)-5-phenyl-1,2,4-triazole
CID 4690773
4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 2375063
2-[[5-(5-chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 79021174
N-(3-chloro-4-methoxyphenyl)-2-[[5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3578442
3-[2-(4-chlorophenoxy)ethylsulfanyl]-4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole
CID 4579115
2-[[5-(4-tert-butylphenyl)-4-(3-chloro-4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 3494125
N-[(2R)-butan-2-yl]-2-[[4-(3-chloro-4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41100983

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole (CID 4018016) is 4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole is CCCSc1nnc(-c2cc(Cl)ccc2OC)n1-c1ccc(OC)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole?
The InChIKey is MLGFGWPUTFPNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2S/c1-4-9-27-19-23-22-18(14-10-12(20)5-7-16(14)25-2)24(19)13-6-8-17(26-3)15(21)11-13/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole?
4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole has a molecular weight of 424.35 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-3-(5-chloro-2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazole is sourced from PubChem (CID 4018016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).