2-azanyl-1-(2-bromophenyl)-4-(2-ethylsulfanyl-5-methyl-furan-3-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(2-bromophenyl)-4-(2-ethylsulfanyl-5-methyl-furan-3-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(2-bromophenyl)-4-(2-ethylsulfanyl-5-methyl-3-furyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(2-bromophenyl)-4-[2-(ethylthio)-5-methyl-3-furanyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(2-bromophenyl)-4-(2-ethylsulfanyl-5-methylfuran-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(2-bromophenyl)-4-[2-(ethylthio)-5-methyl-3-furyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H26BrN3O2S MolecularWeight: 512.46184

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(O1)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4Br)N)C#N

Isomeric SMILES

CCSC1=C(C=C(O1)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4Br)N)C#N

InChI

InChI=1S/C25H26BrN3O2S/c1-5-32-24-15(10-14(2)31-24)21-16(13-27)23(28)29(18-9-7-6-8-17(18)26)19-11-25(3,4)12-20(30)22(19)21/h6-10,21H,5,11-12,28H2,1-4H3