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4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidine
SpectraBase Compound ID LDJNrEjZj6f
InChI InChI=1S/C23H20N2S2/c1-16-7-3-4-8-18(16)15-26-23-24-14-13-19(25-23)11-12-21-17(2)20-9-5-6-10-22(20)27-21/h3-14H,15H2,1-2H3/b12-11+
InChIKey NCGOKWDOVSYYQA-VAWYXSNFSA-N
Mol Weight 388.55 g/mol
Molecular Formula C23H20N2S2
Exact Mass 388.106791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98wgVv7zdDJ
Name 4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20N2S2
InChI InChI=1S/C23H20N2S2/c1-16-7-3-4-8-18(16)15-26-23-24-14-13-19(25-23)11-12-21-17(2)20-9-5-6-10-22(20)27-21/h3-14H,15H2,1-2H3/b12-11+
InChIKey NCGOKWDOVSYYQA-VAWYXSNFSA-N
Molecular Weight 388.547 g/mol
SMILES c1(sc2ccccc2c1C)\C=C\c1nc(SCc2c(C)cccc2)ncc1
SPLASH splash10-0a4r-4986000000-33d0452bde1799ae6938
Synonyms 4-[(E)-2-(3-methyl-1-benzothiophen-2-yl)ethenyl]-2-[(2-methylphenyl)methylthio]pyrimidine 4-[(E)-2-(3-methylbenzothiophen-2-yl)vinyl]-2-(o-tolylmethylsulfanyl)pyrimidine 4-[(E)-2-(3-methylbenzothiophen-2-yl)vinyl]-2-[(2-methylbenzyl)thio]pyrimidine
Wiley ID 1452671