2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[(1-cyano-2-indolizinyl)methylthio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[(1-cyanoindolizin-2-yl)methylthio]-N-cyclopropyl-cinchoninamide Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C23H18N4OS/c24-12-19-15(13-27-10-4-3-7-21(19)27)14-29-22-11-18(23(28)25-16-8-9-16)17-5-1-2-6-20(17)26-22/h1-7,10-11,13,16H,8-9,14H2,(H,25,28)