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

Systemtic Name: 2-azanyl-4-(3-ethylsulfanylthiophen-2-yl)-7,7-dimethyl-1-(2-methylphenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(3-ethylsulfanyl-2-thienyl)-7,7-dimethyl-1-(o-tolyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-(ethylthio)-2-thiophenyl]-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-ethylsulfanylthiophen-2-yl)-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-(ethylthio)-2-thienyl]-5-keto-7,7-dimethyl-1-(o-tolyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H27N3OS2 MolecularWeight: 449.63138

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(SC=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4C)N)C#N

Isomeric SMILES

CCSC1=C(SC=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4C)N)C#N

InChI

InChI=1S/C25H27N3OS2/c1-5-30-20-10-11-31-23(20)21-16(14-26)24(27)28(17-9-7-6-8-15(17)2)18-12-25(3,4)13-19(29)22(18)21/h6-11,21H,5,12-13,27H2,1-4H3