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

Systemtic Name: 2-azanyl-4-(2-ethylsulfanyl-5-methyl-furan-3-yl)-1-(4-iodophenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(2-ethylsulfanyl-5-methyl-3-furyl)-1-(4-iodophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[2-(ethylthio)-5-methyl-3-furanyl]-1-(4-iodophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(2-ethylsulfanyl-5-methylfuran-3-yl)-1-(4-iodophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[2-(ethylthio)-5-methyl-3-furyl]-1-(4-iodophenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H26IN3O2S MolecularWeight: 559.46231

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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)I)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)I)N)C#N

InChI

InChI=1S/C25H26IN3O2S/c1-5-32-24-17(10-14(2)31-24)21-18(13-27)23(28)29(16-8-6-15(26)7-9-16)19-11-25(3,4)12-20(30)22(19)21/h6-10,21H,5,11-12,28H2,1-4H3