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

Systemtic Name: 2-azanyl-4-(5-bromanylthiophen-2-yl)-7,7-dimethyl-1-(3-methylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-1-(m-tolyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-thiophenyl)-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-thienyl)-5-keto-7,7-dimethyl-1-(m-tolyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C23H22BrN3OS MolecularWeight: 468.40928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)Br)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)Br)C(=O)CC(C3)(C)C

InChI

InChI=1S/C23H22BrN3OS/c1-13-5-4-6-14(9-13)27-16-10-23(2,3)11-17(28)21(16)20(15(12-25)22(27)26)18-7-8-19(24)29-18/h4-9,20H,10-11,26H2,1-3H3