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Substance Name: 3-Ethyl-2-((3-ethyl-4,5-diphenylthiazol-2(3H)-ylidene)methyl)-5-(2-(3-ethyl-6,7,8,9-tetrahydronaphtho(2,1-d)thiazol-2(3H)-ylidene)-1-(2-thienyl)ethylidene)-4,5-dihydro-4-oxothiazolium iodide
RN: 84254-90-0
InChIKey: TULZTHZHXHDLAG-FQYWCMBUSA-M

Molecular Formula

  • C42-H40-N3-O-S4.I

Molecular Weight

  • 857.962
 
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Names and Synonyms

Synonym

  • EINECS 282-536-7

Systematic Name

  • 3-Ethyl-2-((3-ethyl-4,5-diphenylthiazol-2(3H)-ylidene)methyl)-5-(2-(3-ethyl-6,7,8,9-tetrahydronaphtho(2,1-d)thiazol-2(3H)-ylidene)-1-(2-thienyl)ethylidene)-4,5-dihydro-4-oxothiazolium iodide

Registry Numbers

CAS Registry Number

  • 84254-90-0

System Generated Number

  • 0084254900

Molecular Formulas

Molecular Formula

  • C42-H40-N3-O-S4.I

Molecular Formula Fragments

  • C42-H40-N3-O-S4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C42H40N3OS4.HI/c1-4-43-33-24-23-28-16-13-14-21-31(28)40(33)49-35(43)26-32(34-22-15-25-47-34)41-42(46)45(6-3)37(50-41)27-36-44(5-2)38(29-17-9-7-10-18-29)39(48-36)30-19-11-8-12-20-30;/h7-12,15,17-20,22-27H,4-6,13-14,16,21H2,1-3H3;1H/q+1;/p-1/b35-26-,41-32-;

InChIKey

TULZTHZHXHDLAG-FQYWCMBUSA-M

Smiles

[N+]1(=C(SC(=C(\C=c2/sc3c(n2CC)ccc2c3CCCC2)c2sccc2)\C1=O)/C=c1\sc(c(n1CC)c1ccccc1)c1ccccc1)CC.[I-]