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(5Z)-5-[(3aS,6aR)-1,3-dibenzyl-2-keto-6,6a-dihydro-3aH-thien[3,4-d]imidazol-4-ylidene]valeronitrile
SpectraBase Compound ID 7bebuhYT816
InChI InChI=1S/C24H25N3OS/c25-15-9-3-8-14-22-23-21(18-29-22)26(16-19-10-4-1-5-11-19)24(28)27(23)17-20-12-6-2-7-13-20/h1-2,4-7,10-14,21,23H,3,8-9,16-18H2/b22-14-/t21-,23-/m0/s1
InChIKey JGBMAONPRJUXCT-RFCSYXLLSA-N
Mol Weight 403.54 g/mol
Molecular Formula C24H25N3OS
Exact Mass 403.171834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8luXxfqtYzt
Name (5Z)-5-[(3aS,6aR)-1,3-dibenzyl-2-keto-6,6a-dihydro-3aH-thien[3,4-d]imidazol-4-ylidene]valeronitrile
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Formula C24H25N3OS
InChI InChI=1S/C24H25N3OS/c25-15-9-3-8-14-22-23-21(18-29-22)26(16-19-10-4-1-5-11-19)24(28)27(23)17-20-12-6-2-7-13-20/h1-2,4-7,10-14,21,23H,3,8-9,16-18H2/b22-14-/t21-,23-/m0/s1
InChIKey JGBMAONPRJUXCT-RFCSYXLLSA-N
Molecular Weight 403.544 g/mol
SMILES C1(N([C@]2(CS\C([C@]2(N1Cc1ccccc1)[H])=C\CCCC#N)[H])Cc1ccccc1)=O
SPLASH splash10-01ox-9005000000-466b421069988cd59b2f
Source of Spectrum C5-2003-2159-10
Synonyms (5Z)-5-[(3aS,6aR)-1,3-dibenzyl-2-oxo-6,6a-dihydro-3aH-thieno[3,4-d]imidazol-4-ylidene]pentanenitrile (5Z)-5-[(3aS,6aR)-2-oxidanylidene-1,3-bis(phenylmethyl)-6,6a-dihydro-3aH-thieno[3,4-d]imidazol-4-ylidene]pentanenitrile (5Z)-5-[(3aS,6aR)-2-oxo-1,3-bis(phenylmethyl)-6,6a-dihydro-3aH-thieno[3,4-d]imidazol-4-ylidene]pentanenitrile
Wiley ID 1615977