2-azanyl-1-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-4-(2-ethylsulfanyl-5-methyl-3-furyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3,4-dichlorophenyl)-4-[2-(ethylthio)-5-methyl-3-furanyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3,4-dichlorophenyl)-4-(2-ethylsulfanyl-5-methylfuran-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(3,4-dichlorophenyl)-4-[2-(ethylthio)-5-methyl-3-furyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H25Cl2N3O2S MolecularWeight: 502.4559

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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(=C(C=C4)Cl)Cl)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H25Cl2N3O2S/c1-5-33-24-15(8-13(2)32-24)21-16(12-28)23(29)30(14-6-7-17(26)18(27)9-14)19-10-25(3,4)11-20(31)22(19)21/h6-9,21H,5,10-11,29H2,1-4H3