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

Systemtic Name: 2-azanyl-4-(5-ethyl-2-ethylsulfanyl-thiophen-3-yl)-7,7-dimethyl-1-(2-methylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-ethyl-2-ethylsulfanyl-3-thienyl)-7,7-dimethyl-1-(o-tolyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[5-ethyl-2-(ethylthio)-3-thiophenyl]-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-ethyl-2-(ethylthio)-3-thienyl]-5-keto-7,7-dimethyl-1-(o-tolyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C27H31N3OS2 MolecularWeight: 477.68454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)SCC)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4C)N)C#N

Isomeric SMILES

CCC1=CC(=C(S1)SCC)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4C)N)C#N

InChI

InChI=1S/C27H31N3OS2/c1-6-17-12-18(26(33-17)32-7-2)23-19(15-28)25(29)30(20-11-9-8-10-16(20)3)21-13-27(4,5)14-22(31)24(21)23/h8-12,23H,6-7,13-14,29H2,1-5H3