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3-Pyridinecarbonitrile, 6-[(4-chlorophenyl)amino]-1,2-dihydro-4-phenyl-2-thioxo-
SpectraBase Compound ID DWQExduJUs6
InChI InChI=1S/C18H12ClN3S/c19-13-6-8-14(9-7-13)21-17-10-15(12-4-2-1-3-5-12)16(11-20)18(23)22-17/h1-10H,(H2,21,22,23)
InChIKey YKVPDRKQZHFBPL-UHFFFAOYSA-N
Mol Weight 337.83 g/mol
Molecular Formula C18H12ClN3S
Exact Mass 337.044046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHJ8S1K08Bf
Name 3-Pyridinecarbonitrile, 6-[(4-chlorophenyl)amino]-1,2-dihydro-4-phenyl-2-thioxo-
Alternate Name(s) 2-p-chlorophenylamino-4-phenyl-5-cyano-6-thioxo-1,6-dihydropyridine 6-(4-chloroanilino)-4-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile
CAS Registry Number 89815-93-0
Comments Less than 3 mono-isotopic peaks
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Formula C18H12ClN3S
InChI InChI=1S/C18H12ClN3S/c19-13-6-8-14(9-7-13)21-17-10-15(12-4-2-1-3-5-12)16(11-20)18(23)22-17/h1-10H,(H2,21,22,23)
InChIKey YKVPDRKQZHFBPL-UHFFFAOYSA-N
Molecular Weight 337.828 g/mol
SMILES N1C(=CC(=C(C1=S)C#N)c1ccccc1)Nc1ccc(cc1)Cl
SPLASH splash10-000i-0009000000-6115e2b911955d642c16
Source of Spectrum AH-114-1194-0
Wiley ID 1333053