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2(1H)-Pyrimidinethione, 4-(4-methylphenyl)-1-[(4-nitrophenyl)amino]-
SpectraBase Compound ID 3FA6ECVAqbC
InChI InChI=1S/C17H14N4O2S/c1-12-2-4-13(5-3-12)16-10-11-20(17(24)18-16)19-14-6-8-15(9-7-14)21(22)23/h2-11,19H,1H3
InChIKey RSFNNFKTSBMMDA-UHFFFAOYSA-N
Mol Weight 338.39 g/mol
Molecular Formula C17H14N4O2S
Exact Mass 338.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfOhtyePFuS
Name 2(1H)-Pyrimidinethione, 4-(4-methylphenyl)-1-[(4-nitrophenyl)amino]-
Alternate Name(s) 1-((p-nitrophenyl)amino)-4-(p-tolyl)-2-thioxopyrimidine 4-(4-Methylphenyl)-1-(4-nitroanilino)-2(1H)-pyrimidinethione
CAS Registry Number 73076-64-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N4O2S
InChI InChI=1S/C17H14N4O2S/c1-12-2-4-13(5-3-12)16-10-11-20(17(24)18-16)19-14-6-8-15(9-7-14)21(22)23/h2-11,19H,1H3
InChIKey RSFNNFKTSBMMDA-UHFFFAOYSA-N
Molecular Weight 338.385 g/mol
SMILES N(N1C(N=C(c2ccc(cc2)C)C=C1)=S)c1ccc(N(=O)=O)cc1
SPLASH splash10-0159-9410000000-4e52b8db23693af927c1
Source of Spectrum AH-120-753-2
Wiley ID 1333554