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

Systemtic Name: N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(2,5-dimethylphenyl)-2-thienyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-4-(2,5-dimethylphenyl)-2-thiophenyl]-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-[3-cyano-4-(2,5-dimethylphenyl)-2-thienyl]-2-(3,4-dimethylphenyl)cinchoninamide Formula: C31H25N3OS MolecularWeight: 487.6147

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C31H25N3OS/c1-18-9-10-20(3)24(13-18)27-17-36-31(26(27)16-32)34-30(35)25-15-29(22-12-11-19(2)21(4)14-22)33-28-8-6-5-7-23(25)28/h5-15,17H,1-4H3,(H,34,35)