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

Systemtic Name: 2-azanyl-1-(3-chloranyl-2-methyl-phenyl)-7,7-dimethyl-5-oxidanylidene-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-7,7-dimethyl-5-oxo-4-(3-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(3-thiophenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(3-chloro-2-methyl-phenyl)-5-keto-7,7-dimethyl-4-(3-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C23H22ClN3OS MolecularWeight: 423.95828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CSC=C4)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CSC=C4)C(=O)CC(C3)(C)C

InChI

InChI=1S/C23H22ClN3OS/c1-13-16(24)5-4-6-17(13)27-18-9-23(2,3)10-19(28)21(18)20(14-7-8-29-12-14)15(11-25)22(27)26/h4-8,12,20H,9-10,26H2,1-3H3