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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C)C#N

InChI

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