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2-Amino-5-keto-7,7-dimethyl-1-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
SpectraBase Compound ID B7heg2GR2zs
InChI InChI=1S/C27H26N6OS2/c1-16-6-8-17(9-7-16)15-35-26-32-31-25(36-26)33-20-11-27(2,3)12-21(34)23(20)22(19(13-28)24(33)29)18-5-4-10-30-14-18/h4-10,14,22H,11-12,15,29H2,1-3H3
InChIKey YNNRCPJBYRFQHC-UHFFFAOYSA-N
Mol Weight 514.67 g/mol
Molecular Formula C27H26N6OS2
Exact Mass 514.160952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 687faUV6I2P
Name 2-Amino-5-keto-7,7-dimethyl-1-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
Alternate Name(s) 2-Amino-7,7-dimethyl-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile 2-Amino-7,7-dimethyl-1-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-oxo-4-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile 2-Amino-7,7-dimethyl-5-oxo-1-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile 2-Azanyl-7,7-dimethyl-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-oxidanylidene-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
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Formula C27H26N6OS2
InChI InChI=1S/C27H26N6OS2/c1-16-6-8-17(9-7-16)15-35-26-32-31-25(36-26)33-20-11-27(2,3)12-21(34)23(20)22(19(13-28)24(33)29)18-5-4-10-30-14-18/h4-10,14,22H,11-12,15,29H2,1-3H3
InChIKey YNNRCPJBYRFQHC-UHFFFAOYSA-N
Molecular Weight 514.666 g/mol
SMILES NC1=C(C#N)C(C2=C(N1c1sc(SCc3ccc(cc3)C)nn1)CC(CC2=O)(C)C)c1cnccc1
SPLASH splash10-0a4i-7910000000-b88547f4aeab92fba762
Wiley ID 1512523