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

Systemtic Name: 2-azanyl-1-(5-bromanylpyridin-2-yl)-7,7-dimethyl-5-oxidanylidene-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(5-bromo-2-pyridyl)-7,7-dimethyl-5-oxo-4-(3-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(5-bromo-2-pyridinyl)-7,7-dimethyl-5-oxo-4-(3-thiophenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(5-bromopyridin-2-yl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(5-bromo-2-pyridyl)-5-keto-7,7-dimethyl-4-(3-thienyl)-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=NC=C(C=C3)Br)N)C#N)C4=CSC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=NC=C(C=C3)Br)N)C#N)C4=CSC=C4)C(=O)C1)C

InChI

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