3-tosyloxymethyl-4-(3-o-chlorobenzoyl-5-ethyl-2-thienyl)-5-methyl-4H-1,2,4-triazole

HCID 54572107
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Basic information

Standard SMILES
CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2COS(=O)(=O)c2ccc(C)cc2)s1
InChIKey
ZYACYDMPZRYBBH-UHFFFAOYSA-N
Molecular formula
C24H22ClN3O4S2
Average molar mass
516 g/mol

Names & identifiers

Preferred name
3-tosyloxymethyl-4-(3-o-chlorobenzoyl-5-ethyl-2-thienyl)-5-methyl-4H-1,2,4-triazole
IUPAC
[4-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-5-methyl-1,2,4-triazol-3-yl]methyl 4-methylbenzenesulfonate

Names & synonyms

SCHEMBL11862602ZYACYDMPZRYBBH-UHFFFAOYSA-N3-tosyloxymethyl-4-(3-o-chlorobenzoyl-5-ethyl-2-thienyl)-5-methyl-4H-1,2,4-triazole

Database identifiers

PubChem CID
54572107

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
128 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
34

Related reactions

3 records
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Compound notes

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