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

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-1-(2-ethylphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-1-(2-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-1-(2-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-1-(2-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-1-(2-ethylphenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H26BrN3OS MolecularWeight: 496.46244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C3=C(C(C(=C2N)C#N)C4=CC(=C(S4)C)Br)C(=O)CC(C3)(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C3=C(C(C(=C2N)C#N)C4=CC(=C(S4)C)Br)C(=O)CC(C3)(C)C

InChI

InChI=1S/C25H26BrN3OS/c1-5-15-8-6-7-9-18(15)29-19-11-25(3,4)12-20(30)23(19)22(16(13-27)24(29)28)21-10-17(26)14(2)31-21/h6-10,22H,5,11-12,28H2,1-4H3