2-azanyl-4-(4-bromanylthiophen-2-yl)-1-(2-chloranylpyridin-3-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-1-(2-chloranylpyridin-3-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-1-(2-chloro-3-pyridyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-1-(2-chloro-3-pyridinyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-1-(2-chloropyridin-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-1-(2-chloro-3-pyridyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C21H18BrClN4OS MolecularWeight: 489.81582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=C(N=CC=C3)Cl)N)C#N)C4=CC(=CS4)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=C(N=CC=C3)Cl)N)C#N)C4=CC(=CS4)Br)C(=O)C1)C

InChI

InChI=1S/C21H18BrClN4OS/c1-21(2)7-14-18(15(28)8-21)17(16-6-11(22)10-29-16)12(9-24)20(25)27(14)13-4-3-5-26-19(13)23/h3-6,10,17H,7-8,25H2,1-2H3