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2-[(3-chlorobenzyl)thio]-4-[(E)-2-(3-methyl-2-thienyl)vinyl]pyrimidine
SpectraBase Compound ID 9McuIPCk3sO
InChI InChI=1S/C18H15ClN2S2/c1-13-8-10-22-17(13)6-5-16-7-9-20-18(21-16)23-12-14-3-2-4-15(19)11-14/h2-11H,12H2,1H3/b6-5+
InChIKey HRBNTIUNIYNPGO-AATRIKPKSA-N
Mol Weight 358.91 g/mol
Molecular Formula C18H15ClN2S2
Exact Mass 358.036519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6r6p3kaN1hF
Name 2-[(3-chlorobenzyl)thio]-4-[(E)-2-(3-methyl-2-thienyl)vinyl]pyrimidine
Alternate Name(s) 2-[(3-chlorophenyl)methylsulfanyl]-4-[(E)-2-(3-methyl-2-thienyl)vinyl]pyrimidine 2-[(3-chlorophenyl)methylsulfanyl]-4-[(E)-2-(3-methylthiophen-2-yl)ethenyl]pyrimidine 2-[(3-chlorophenyl)methylthio]-4-[(E)-2-(3-methyl-2-thiophenyl)ethenyl]pyrimidine
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Formula C18H15ClN2S2
InChI InChI=1S/C18H15ClN2S2/c1-13-8-10-22-17(13)6-5-16-7-9-20-18(21-16)23-12-14-3-2-4-15(19)11-14/h2-11H,12H2,1H3/b6-5+
InChIKey HRBNTIUNIYNPGO-AATRIKPKSA-N
Molecular Weight 358.905 g/mol
SMILES c1(\C=C\c2nc(SCc3cc(Cl)ccc3)ncc2)c(ccs1)C
SPLASH splash10-05r9-5924000000-faed0c2c6c3f89126b8e
Wiley ID 1452155