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

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-1-(5-chloranyl-2-methyl-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-1-(5-chloro-2-methyl-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-1-(5-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-1-(5-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-1-(5-chloro-2-methyl-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C23H21BrClN3OS MolecularWeight: 502.85434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)Br)C(=O)CC(C3)(C)C

InChI

InChI=1S/C23H21BrClN3OS/c1-12-4-5-14(25)7-16(12)28-17-8-23(2,3)9-18(29)21(17)20(15(10-26)22(28)27)19-6-13(24)11-30-19/h4-7,11,20H,8-9,27H2,1-3H3