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Substance Name: Thiangazole
RN: 138667-71-7
InChIKey: IPNBHSCJCMEBFX-WMXIMKIMSA-N

Molecular Formula

  • C26-H29-N5-O2-S3

Molecular Weight

  • 539.7461
 
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Names and Synonyms

Results Name

  • Thiangazole

Synonyms

  • (-)-Thiangazole
  • Thiangazole

Systematic Name

  • 4-Oxazolecarboxamide,2-(4,4',4'',5,5',5''-hexahydro-4,4',4''-trimethyl-2''-(2-phenylethenyl)(2,4':2',4''-terthiazol)-4-yl)-N,5-dimethyl-, (4R-(2(2'(2''(E),4''S*),4'S*),4R*))-

Registry Numbers

CAS Registry Number

  • 138667-71-7

System Generated Number

  • 0138667717

Structure Descriptors

InChI

1S/C26H29N5O2S3/c1-16-19(20(32)27-5)28-21(33-16)24(2)13-35-23(30-24)26(4)15-36-22(31-26)25(3)14-34-18(29-25)12-11-17-9-7-6-8-10-17/h6-12H,13-15H2,1-5H3,(H,27,32)/b12-11+/t24-,25-,26-/m0/s1

InChIKey

IPNBHSCJCMEBFX-WMXIMKIMSA-N

Smiles

Cc1c(nc(o1)[C@@]2(CSC(=N2)[C@@]3(CSC(=N3)[C@@]4(CSC(=N4)/C=C/c5ccccc5)C)C)C)C(=O)NC