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2-[4-(4-methylphenyl)-2-sulfanylidene-1-pyrimidinyl]benzonitrile
SpectraBase Compound ID ANnJYMYwevm
InChI InChI=1S/C18H13N3S/c1-13-6-8-14(9-7-13)16-10-11-21(18(22)20-16)17-5-3-2-4-15(17)12-19/h2-11H,1H3
InChIKey BFGXDYHPVFOLRB-UHFFFAOYSA-N
Mol Weight 303.38 g/mol
Molecular Formula C18H13N3S
Exact Mass 303.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKDwGQKu76u
Name 2-[4-(4-methylphenyl)-2-sulfanylidene-1-pyrimidinyl]benzonitrile
CAS Registry Number 131022-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3S
InChI InChI=1S/C18H13N3S/c1-13-6-8-14(9-7-13)16-10-11-21(18(22)20-16)17-5-3-2-4-15(17)12-19/h2-11H,1H3
InChIKey BFGXDYHPVFOLRB-UHFFFAOYSA-N
Molecular Weight 303.383 g/mol
SMILES C1(N(C=CC(=N1)c1ccc(cc1)C)c1c(C#N)cccc1)=S
SPLASH splash10-0udi-3914000000-c01706050e7d65806620
Source of Spectrum Y-27-1443-3
Synonyms 2-[4-(4-methylphenyl)-2-sulfanylidene-pyrimidin-1-yl]benzenecarbonitrile 2-[4-(4-methylphenyl)-2-sulfanylidenepyrimidin-1-yl]benzonitrile 2-[4-(p-tolyl)-2-thioxo-pyrimidin-1-yl]benzonitrile
Wiley ID 1305695