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2-[(3-chlorobenzyl)thio]-4-[(E)-2-(3-methylbenzothiophen-2-yl)vinyl]pyrimidine
SpectraBase Compound ID 7laOWVgAnOo
InChI InChI=1S/C22H17ClN2S2/c1-15-19-7-2-3-8-21(19)27-20(15)10-9-18-11-12-24-22(25-18)26-14-16-5-4-6-17(23)13-16/h2-13H,14H2,1H3/b10-9+
InChIKey YYJSNMBTDKVATJ-MDZDMXLPSA-N
Mol Weight 408.97 g/mol
Molecular Formula C22H17ClN2S2
Exact Mass 408.052169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4POvpFI2zRn
Name 2-[(3-chlorobenzyl)thio]-4-[(E)-2-(3-methylbenzothiophen-2-yl)vinyl]pyrimidine
Alternate Name(s) 2-[(3-chlorophenyl)methylsulfanyl]-4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidine 2-[(3-chlorophenyl)methylsulfanyl]-4-[(E)-2-(3-methylbenzothiophen-2-yl)vinyl]pyrimidine 2-[(3-chlorophenyl)methylthio]-4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]pyrimidine
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Formula C22H17ClN2S2
InChI InChI=1S/C22H17ClN2S2/c1-15-19-7-2-3-8-21(19)27-20(15)10-9-18-11-12-24-22(25-18)26-14-16-5-4-6-17(23)13-16/h2-13H,14H2,1H3/b10-9+
InChIKey YYJSNMBTDKVATJ-MDZDMXLPSA-N
Molecular Weight 408.965 g/mol
SMILES c1(sc2ccccc2c1C)\C=C\c1nc(SCc2cc(Cl)ccc2)ncc1
SPLASH splash10-0570-5982300000-eb324f7fbd7144b33f6a
Wiley ID 1437548