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

Systemtic Name: 2-azanyl-1-(3-chloranyl-2-methyl-phenyl)-4-(2-ethylsulfanylthiophen-3-yl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-4-(2-ethylsulfanyl-3-thienyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-2-methylphenyl)-4-[2-(ethylthio)-3-thiophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-2-methylphenyl)-4-(2-ethylsulfanylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-4-[2-(ethylthio)-3-thienyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H26ClN3OS2 MolecularWeight: 484.07644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C(=CC=C4)Cl)C)N)C#N

Isomeric SMILES

CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C(=CC=C4)Cl)C)N)C#N

InChI

InChI=1S/C25H26ClN3OS2/c1-5-31-24-15(9-10-32-24)21-16(13-27)23(28)29(18-8-6-7-17(26)14(18)2)19-11-25(3,4)12-20(30)22(19)21/h6-10,21H,5,11-12,28H2,1-4H3