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

Systemtic Name: 2-azanyl-4-(5-bromanylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-thiophenyl)-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-thienyl)-5-keto-7,7-dimethyl-1-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C21H19BrN4OS MolecularWeight: 455.37076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=CN=CC=C3)N)C#N)C4=CC=C(S4)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=CN=CC=C3)N)C#N)C4=CC=C(S4)Br)C(=O)C1)C

InChI

InChI=1S/C21H19BrN4OS/c1-21(2)8-14-19(15(27)9-21)18(16-5-6-17(22)28-16)13(10-23)20(24)26(14)12-4-3-7-25-11-12/h3-7,11,18H,8-9,24H2,1-2H3