2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-1-(2-chloranyl-5-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-1-(2-chloranyl-5-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(2-chloro-5-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-1-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-1-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(2-chloro-5-nitro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C24H22BrClN4O3S MolecularWeight: 561.87848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)N)C#N)Br

Isomeric SMILES

CCC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)N)C#N)Br

InChI

InChI=1S/C24H22BrClN4O3S/c1-4-19-14(25)8-20(34-19)21-13(11-27)23(28)29(16-7-12(30(32)33)5-6-15(16)26)17-9-24(2,3)10-18(31)22(17)21/h5-8,21H,4,9-10,28H2,1-3H3