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(E)-1-[2-(1,3-Diaza-1,3-diethyl-4,6-dioxo-2-thioxocyclohex-5-ylideneethyl)-5-thienyl]-2-[2(E)-(4-N,N-dimethylaminobenzylidenemethyl)-5-thienyl]ethene
SpectraBase Compound ID 4l1dhxhZUcX
InChI InChI=1S/C29H29N3O2S3/c1-5-31-27(33)26(28(34)32(6-2)29(31)35)19-25-18-17-24(37-25)16-15-23-14-13-22(36-23)12-9-20-7-10-21(11-8-20)30(3)4/h7-19H,5-6H2,1-4H3/b12-9+,16-15+
InChIKey YXAOITXEMWJSDG-JDHQLRNLSA-N
Mol Weight 547.75 g/mol
Molecular Formula C29H29N3O2S3
Exact Mass 547.142191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43g41xXYDjk
Name (E)-1-[2-(1,3-Diaza-1,3-diethyl-4,6-dioxo-2-thioxocyclohex-5-ylideneethyl)-5-thienyl]-2-[2(E)-(4-N,N-dimethylaminobenzylidenemethyl)-5-thienyl]ethene
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Formula C29H29N3O2S3
InChI InChI=1S/C29H29N3O2S3/c1-5-31-27(33)26(28(34)32(6-2)29(31)35)19-25-18-17-24(37-25)16-15-23-14-13-22(36-23)12-9-20-7-10-21(11-8-20)30(3)4/h7-19H,5-6H2,1-4H3/b12-9+,16-15+
InChIKey YXAOITXEMWJSDG-JDHQLRNLSA-N
Molecular Weight 547.750 g/mol
SMILES C1(C(N(CC)C(N(C1=O)CC)=S)=O)=Cc1sc(\C=C\c2sc(\C=C\c3ccc(cc3)N(C)C)cc2)cc1
SPLASH splash10-000b-0007090000-1aaf6310a71e1dd845fd
Source of Spectrum J-67-214-1
Wiley ID 1568918