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2(1H)-Pyrimidinethione, 4-(4-chlorophenyl)-1-(phenylamino)-
SpectraBase Compound ID J5mjYbAgZFu
InChI InChI=1S/C16H12ClN3S/c17-13-8-6-12(7-9-13)15-10-11-20(16(21)18-15)19-14-4-2-1-3-5-14/h1-11,19H
InChIKey SIEJSGWLNCBGNC-UHFFFAOYSA-N
Mol Weight 313.81 g/mol
Molecular Formula C16H12ClN3S
Exact Mass 313.044046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKusTnhu8Mh
Name 2(1H)-Pyrimidinethione, 4-(4-chlorophenyl)-1-(phenylamino)-
Alternate Name(s) 1-Anilino-4-(4-chlorophenyl)-2(1H)-pyrimidinethione 1-Phenylamino-4-(p-chlorophenyl)-2-thioxopyrimidine
CAS Registry Number 127251-92-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12ClN3S
InChI InChI=1S/C16H12ClN3S/c17-13-8-6-12(7-9-13)15-10-11-20(16(21)18-15)19-14-4-2-1-3-5-14/h1-11,19H
InChIKey SIEJSGWLNCBGNC-UHFFFAOYSA-N
Molecular Weight 313.806 g/mol
SMILES N(N1C(N=C(c2ccc(cc2)Cl)C=C1)=S)c1ccccc1
SPLASH splash10-0pb9-4930000000-f72828c407ac1a9cd7cc
Source of Spectrum AH-120-753-2
Wiley ID 1314156