2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(3-ethylsulfanylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-4-(3-ethylsulfanylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-(3-ethylsulfanyl-2-thienyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-[3-(ethylthio)-2-thiophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-fluorophenyl)-4-(3-ethylsulfanylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-bromo-2-fluoro-phenyl)-4-[3-(ethylthio)-2-thienyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C24H23BrFN3OS2 MolecularWeight: 532.491323

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(SC=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)Br)F)N)C#N

Isomeric SMILES

CCSC1=C(SC=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)Br)F)N)C#N

InChI

InChI=1S/C24H23BrFN3OS2/c1-4-31-19-7-8-32-22(19)20-14(12-27)23(28)29(16-6-5-13(25)9-15(16)26)17-10-24(2,3)11-18(30)21(17)20/h5-9,20H,4,10-11,28H2,1-3H3