N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-(o-tolyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-2-(2-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-(2-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-(o-tolyl)cinchoninamide Formula: C25H21N3OS MolecularWeight: 411.51874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4C)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4C)C

InChI

InChI=1S/C25H21N3OS/c1-4-17-16(3)30-25(21(17)14-26)28-24(29)20-13-23(18-10-6-5-9-15(18)2)27-22-12-8-7-11-19(20)22/h5-13H,4H2,1-3H3,(H,28,29)