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Substance Name: N-(5-((4-(2,4-Bis(tert-pentyl)phenoxy)butyryl)amino)-2-chlorophenyl)-alpha-(2,2-dimethylpropionyl)-3-(hexylthio)-1H-1,2,4-triazole-1-acetamide
RN: 79285-13-5
InChIKey: QOHXXQHCSTXTLH-UHFFFAOYSA-N

Molecular Formula

  • C41-H60-Cl-N5-O4-S

Molecular Weight

  • 754.475
 
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Names and Synonyms

Synonym

  • EINECS 279-127-0

Systematic Name

  • N-(5-((4-(2,4-Bis(tert-pentyl)phenoxy)butyryl)amino)-2-chlorophenyl)-alpha-(2,2-dimethylpropionyl)-3-(hexylthio)-1H-1,2,4-triazole-1-acetamide

Registry Numbers

CAS Registry Number

  • 79285-13-5

System Generated Number

  • 0079285135

Structure Descriptors

InChI

1S/C41H60ClN5O4S/c1-11-14-15-16-24-52-38-43-27-47(46-38)35(36(49)39(4,5)6)37(50)45-32-26-29(20-21-31(32)42)44-34(48)18-17-23-51-33-22-19-28(40(7,8)12-2)25-30(33)41(9,10)13-3/h19-22,25-27,35H,11-18,23-24H2,1-10H3,(H,44,48)(H,45,50)

InChIKey

QOHXXQHCSTXTLH-UHFFFAOYSA-N

Smiles

CCCCCCSc1ncn(n1)C(C(=O)C(C)(C)C)C(=O)Nc2cc(ccc2Cl)NC(=O)CCCOc3ccc(cc3C(C)(C)CC)C(C)(C)CC