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1-(6'-Methoxy-2'-benzothiazolyl)-4-(4"-methylphenyl)-3,5-dicyano-6-amino-1,2-dihydro-2-pyridone
SpectraBase Compound ID 89UWCdoqrOp
InChI InChI=1S/C22H15N5O2S/c1-12-3-5-13(6-4-12)19-15(10-23)20(25)27(21(28)16(19)11-24)22-26-17-8-7-14(29-2)9-18(17)30-22/h3-9H,25H2,1-2H3
InChIKey DQPQQYLMMOMFPO-UHFFFAOYSA-N
Mol Weight 413.46 g/mol
Molecular Formula C22H15N5O2S
Exact Mass 413.094646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4LZ08rcEk4
Name 1-(6'-Methoxy-2'-benzothiazolyl)-4-(4"-methylphenyl)-3,5-dicyano-6-amino-1,2-dihydro-2-pyridone
Alternate Name(s) 6-Amino-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)-2-oxo-1,2-dihydro-3,5-pyridinedicarbonitrile
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Formula C22H15N5O2S
InChI InChI=1S/C22H15N5O2S/c1-12-3-5-13(6-4-12)19-15(10-23)20(25)27(21(28)16(19)11-24)22-26-17-8-7-14(29-2)9-18(17)30-22/h3-9H,25H2,1-2H3
InChIKey DQPQQYLMMOMFPO-UHFFFAOYSA-N
Molecular Weight 413.455 g/mol
SMILES NC1=C(C#N)C(=C(C(N1c1nc2ccc(cc2s1)OC)=O)C#N)c1ccc(cc1)C
SPLASH splash10-03di-0200900000-e970fc870e04d35e0f2f
Source of Spectrum G-61-927-5
Wiley ID 748946