539811-13-7
2-[[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,6-DIMETHYLPHENYL)ACETAMIDE
Name
2-[[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,6-DIMETHYLPHENYL)ACETAMIDE
pro_formula
C25 H23 N7 O S
pro_molWeight
469.571
1Identification
【Name】
2-[[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,6-DIMETHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03765071
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25 H23 N7 O S
【pro_molWeight】
469.571
【Inchi】
InChI=1S/C25H23N7OS/c1-17-9-8-10-18(2)24(17)26-23(33)16-34-25-29-28-22(32(25)19-11-4-3-5-12-19)15-31-21-14-7-6-13-20(21)27-30-31/h3-14H,15-16H2,1-2H3,(H,26,33)
【InChIKey】
InChIKey=SIDWRDKQEMRPIS-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1NC(=O)CSc2nnc(n2c3ccccc3)Cn4c5ccccc5nn4)C
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,6-DIMETHYLPHENYL)ACETAMIDE.cml
quick_release
TOCAINIDE
41708-72-9 ;71395-14-7
1-(2,6-DIMETHYLPHENYL)-2-THIOUREA
6396-76-5
2',6'-DIMETHYLACETANILIDE
2198-53-0
N-(2,6-DIMETHYLPHENYL)FORMAMIDE
607-92-1
N-(2,6-DIISOPROPYLPHENYL)FORMAMIDE
84250-69-1
RAD-140
1182367-47-0 ;1182367-47-0
SuppliersList
Sigma-Aldrich Corporation
pro_catalogNo:L444871-1EA 10MG
CountryRegion:US
BusinessType:ReagentCompany
http://www.sigma-aldrich.com
More 539811-13-7 select_supply>>
pro_catalogNo:L444871-1EA 10MG
CountryRegion:US
BusinessType:ReagentCompany
http://www.sigma-aldrich.com
More 539811-13-7 select_supply>>
Relatedproducts
TOCAINIDE
41708-72-9 ;71395-14-7
1-(2,6-DIMETHYLPHENYL)-2-THIOUREA
6396-76-5
2',6'-DIMETHYLACETANILIDE
2198-53-0
N-(2,6-DIMETHYLPHENYL)FORMAMIDE
607-92-1
N-(2,6-DIISOPROPYLPHENYL)FORMAMIDE
84250-69-1
RAD-140
1182367-47-0 ;1182367-47-0