6-chloranyl-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-chloro-N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(3-pyridyl)cinchoninamide Formula: C22H15ClN4OS MolecularWeight: 418.8987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)C

InChI

InChI=1S/C22H15ClN4OS/c1-12-13(2)29-22(18(12)10-24)27-21(28)17-9-20(14-4-3-7-25-11-14)26-19-6-5-15(23)8-16(17)19/h3-9,11H,1-2H3,(H,27,28)