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

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-(2,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(2,4-dimethylphenyl)cinchoninamide Formula: C25H21N3OS MolecularWeight: 411.51874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C)C#N)C

InChI

InChI=1S/C25H21N3OS/c1-14-9-10-18(15(2)11-14)23-12-20(19-7-5-6-8-22(19)27-23)24(29)28-25-21(13-26)16(3)17(4)30-25/h5-12H,1-4H3,(H,28,29)