N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-(2,4-dichlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(2,4-dichlorophenyl)cinchoninamide Formula: C23H15Cl2N3OS MolecularWeight: 452.3557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C23H15Cl2N3OS/c1-12-13(2)30-23(18(12)11-26)28-22(29)17-10-21(16-8-7-14(24)9-19(16)25)27-20-6-4-3-5-15(17)20/h3-10H,1-2H3,(H,28,29)