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Propanedinitrile, 2-[2,5-bis(3-ethyl-2(3H)-benzothiazolylidene)cyclopentylidene]-
SpectraBase Compound ID JUsfIViRqPm
InChI InChI=1S/C26H22N4S2/c1-3-29-20-9-5-7-11-22(20)31-25(29)18-13-14-19(24(18)17(15-27)16-28)26-30(4-2)21-10-6-8-12-23(21)32-26/h5-12H,3-4,13-14H2,1-2H3/b25-18-,26-19+
InChIKey CAAPHQOONIZXEI-BCRMPINCSA-N
Mol Weight 454.61 g/mol
Molecular Formula C26H22N4S2
Exact Mass 454.128589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnE6XeRjRs2
Name Propanedinitrile, 2-[2,5-bis(3-ethyl-2(3H)-benzothiazolylidene)cyclopentylidene]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N4S2
InChI InChI=1S/C26H22N4S2/c1-3-29-20-9-5-7-11-22(20)31-25(29)18-13-14-19(24(18)17(15-27)16-28)26-30(4-2)21-10-6-8-12-23(21)32-26/h5-12H,3-4,13-14H2,1-2H3/b25-18-,26-19+
InChIKey CAAPHQOONIZXEI-BCRMPINCSA-N
Molecular Weight 454.610 g/mol
SMILES CCN1\C(Sc2ccccc12)=C/1CC\C(=C/2Sc3ccccc3N2CC)C1=C(C#N)C#N
SPLASH splash10-0udi-1354900000-7cdd867cdb880e17af5d
Source of Spectrum JX-2015-4-655
Synonyms 2-((2Z,5E)-2,5-bis(3-ethylbenzo[d]thiazol-2(3H)-ylidene)cyclopentylidene)malononitrile 2-[(2Z,5E)-2,5-bis(3-ethyl-1,3-benzothiazol-2-ylidene)cyclopentylidene]propanedinitrile
Wiley ID 1726079