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3,5-bis[[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile
SpectraBase Compound ID 8krXrYUMIEm
InChI InChI=1S/C22H18N2O4S3/c1-27-16-7-3-14(4-8-16)19(25)12-29-21-18(11-23)22(31-24-21)30-13-20(26)15-5-9-17(28-2)10-6-15/h3-10H,12-13H2,1-2H3
InChIKey YHVAAJMMKCGSBX-UHFFFAOYSA-N
Mol Weight 470.58 g/mol
Molecular Formula C22H18N2O4S3
Exact Mass 470.042871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArtT5Jns9tF
Name 3,5-bis[[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl]-1,2-thiazole-4-carbonitrile
Alternate Name(s) 3,5-bis[[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl]-1,2-thiazole-4-carbonitrile 3,5-bis[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile 3,5-bis[[2-keto-2-(4-methoxyphenyl)ethyl]thio]isothiazole-4-carbonitrile
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Formula C22H18N2O4S3
InChI InChI=1S/C22H18N2O4S3/c1-27-16-7-3-14(4-8-16)19(25)12-29-21-18(11-23)22(31-24-21)30-13-20(26)15-5-9-17(28-2)10-6-15/h3-10H,12-13H2,1-2H3
InChIKey YHVAAJMMKCGSBX-UHFFFAOYSA-N
Molecular Weight 470.576 g/mol
SMILES c1(c(snc1SCC(c1ccc(cc1)OC)=O)SCC(c1ccc(cc1)OC)=O)C#N
SPLASH splash10-000i-4900000000-21fc52ffe98c5099bc87
Wiley ID 1455188