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2-[4-(benzothiazol-2-ylsulfanylmethyl)-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-phenyl)-acrylonitrile
SpectraBase Compound ID 4U96ujU4oRP
InChI InChI=1S/C21H15N3O2S3/c1-26-18-9-13(6-7-17(18)25)8-14(10-22)20-23-15(11-27-20)12-28-21-24-16-4-2-3-5-19(16)29-21/h2-9,11,25H,12H2,1H3/b14-8-
InChIKey BTBXRTCSJMYSTC-ZSOIEALJSA-N
Mol Weight 437.55 g/mol
Molecular Formula C21H15N3O2S3
Exact Mass 437.03264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92CLku1OODK
Name 2-[4-(benzothiazol-2-ylsulfanylmethyl)-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-phenyl)-acrylonitrile
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Formula C21H15N3O2S3
InChI InChI=1S/C21H15N3O2S3/c1-26-18-9-13(6-7-17(18)25)8-14(10-22)20-23-15(11-27-20)12-28-21-24-16-4-2-3-5-19(16)29-21/h2-9,11,25H,12H2,1H3/b14-8-
InChIKey BTBXRTCSJMYSTC-ZSOIEALJSA-N
Molecular Weight 437.550 g/mol
SMILES Oc1ccc(\C=C/(c2nc(CSc3nc4ccccc4s3)cs2)C#N)cc1OC
SPLASH splash10-000i-9720600000-8fd5924cecfaebdf1964
Synonyms (2Z)-2-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3-thiazol-2-yl}-3-(4-hydroxy-3-methoxyphenyl)-2-propenenitrile 2-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3-thiazol-2-yl}-3-(4-hydroxy-3-methoxyphenyl)-2-propenenitrile
Wiley ID 1457751