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 Google Search
Mol Weight	303.38 g/mol
Molecular Formula	C18H13N3S
Exact Mass	303.083019 g/mol

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SpectraBase Spectrum ID	ItDq5yRD3XS
Name	2-[4-(4-methylphenyl)-2-sulfanylidene-1-pyrimidinyl]benzonitrile
Alternate Name(s)	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
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-3915000000-78d60cb4e0171eb377a4
Source of Spectrum	Y-27-1443-3
Wiley ID	1305696