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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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