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

Systemtic Name: 2-azanyl-4-(3-ethylsulfanylthiophen-2-yl)-7,7-dimethyl-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(3-ethylsulfanyl-2-thienyl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-(ethylthio)-2-thiophenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-ethylsulfanylthiophen-2-yl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-(ethylthio)-2-thienyl]-5-keto-7,7-dimethyl-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H24F3N3OS2 MolecularWeight: 503.60277

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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(=C4)C(F)(F)F)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H24F3N3OS2/c1-4-33-19-8-9-34-22(19)20-16(13-29)23(30)31(15-7-5-6-14(10-15)25(26,27)28)17-11-24(2,3)12-18(32)21(17)20/h5-10,20H,4,11-12,30H2,1-3H3