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9-(furan-2-ylmethyl)-10-oxo-2-thia-9-azatricyclo[9.4.0.0(3,8)]pentadeca-1(11),3,5,7,12,14-hexaene-5,6-dicarbonitrile
SpectraBase Compound ID 46GyDxaqRfa
InChI InChI=1S/C20H11N3O2S/c21-10-13-8-17-19(9-14(13)11-22)26-18-6-2-1-5-16(18)20(24)23(17)12-15-4-3-7-25-15/h1-9H,12H2
InChIKey XKYKNLVWYUNTBU-UHFFFAOYSA-N
Mol Weight 357.39 g/mol
Molecular Formula C20H11N3O2S
Exact Mass 357.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A27rkPizoqz
Name 9-(furan-2-ylmethyl)-10-oxo-2-thia-9-azatricyclo[9.4.0.0(3,8)]pentadeca-1(11),3,5,7,12,14-hexaene-5,6-dicarbonitrile
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Formula C20H11N3O2S
InChI InChI=1S/C20H11N3O2S/c21-10-13-8-17-19(9-14(13)11-22)26-18-6-2-1-5-16(18)20(24)23(17)12-15-4-3-7-25-15/h1-9H,12H2
InChIKey XKYKNLVWYUNTBU-UHFFFAOYSA-N
Molecular Weight 357.387 g/mol
SMILES c1c(c(cc2c1Sc1c(C(N2Cc2ccco2)=O)cccc1)C#N)C#N
SPLASH splash10-001i-9111000000-a9ca07aedf937f2da61d
Source of Spectrum IY-2-5005-9
Synonyms Dibenzo[b,f][1,4]thiazepine-7,8-dicarbonitrile, 10-(2-furanylmethyl)-10,11-dihydro-11-oxo- 5-(2-furanylmethyl)-6-oxobenzo[b][1,4]benzothiazepine-2,3-dicarbonitrile 5-(furan-2-ylmethyl)-6-oxobenzo[b][1,4]benzothiazepine-2,3-dicarbonitrile 5-(2-furylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile 5-(furan-2-ylmethyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile
Wiley ID 1658042