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

Systemtic Name: 2-azanyl-4-(2-ethylsulfanyl-5-methyl-furan-3-yl)-7,7-dimethyl-1-(2-methylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(2-ethylsulfanyl-5-methyl-3-furyl)-7,7-dimethyl-1-(o-tolyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[2-(ethylthio)-5-methyl-3-furanyl]-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(2-ethylsulfanyl-5-methylfuran-3-yl)-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[2-(ethylthio)-5-methyl-3-furyl]-5-keto-7,7-dimethyl-1-(o-tolyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C26H29N3O2S MolecularWeight: 447.59236

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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=C4C)N)C#N

Isomeric SMILES

CCSC1=C(C=C(O1)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4C)N)C#N

InChI

InChI=1S/C26H29N3O2S/c1-6-32-25-17(11-16(3)31-25)22-18(14-27)24(28)29(19-10-8-7-9-15(19)2)20-12-26(4,5)13-21(30)23(20)22/h7-11,22H,6,12-13,28H2,1-5H3