540498-22-4
2-[[4-ALLYL-5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
Name
2-[[4-ALLYL-5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
pro_formula
C21 H18 F3 N7 O S
pro_molWeight
473.481
1Identification
【Name】
2-[[4-ALLYL-5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
【CAS】
【MDL】
MFCD03494417
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H18 F3 N7 O S
【pro_molWeight】
473.481
【Inchi】
InChI=1S/C21H18F3N7OS/c1-2-11-30-18(12-31-17-10-6-5-9-16(17)26-29-31)27-28-20(30)33-13-19(32)25-15-8-4-3-7-14(15)21(22,23)24/h2-10H,1,11-13H2,(H,25,32)
【InChIKey】
InChIKey=VZYKOKHNHPYLNI-UHFFFAOYSA-N
【SMILES】
C=CCn1c(nnc1SCC(=O)Nc2ccccc2C(F)(F)F)Cn3c4ccccc4nn3
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[4-ALLYL-5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE.cml
quick_release
SuppliersList
Sigma-Aldrich Corporation
pro_catalogNo:L445479-1EA 10MG
CountryRegion:US
BusinessType:ReagentCompany
http://www.sigma-aldrich.com
More 540498-22-4 select_supply>>
pro_catalogNo:L445479-1EA 10MG
CountryRegion:US
BusinessType:ReagentCompany
http://www.sigma-aldrich.com
More 540498-22-4 select_supply>>