2-(2-cyanoethylsulfanyl)quinoline-4-carboxamide

Systemtic Name: 2-(2-cyanoethylsulfanyl)quinoline-4-carboxamide Openeye Name: 2-(2-cyanoethylsulfanyl)quinoline-4-carboxamide CAS Name: 2-(2-cyanoethylthio)-4-quinolinecarboxamide IUPAC Name: 2-(2-cyanoethylsulfanyl)quinoline-4-carboxamide Traditional Name: 2-(2-cyanoethylthio)cinchoninamide Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SCCC#N)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SCCC#N)C(=O)N

InChI

InChI=1S/C13H11N3OS/c14-6-3-7-18-12-8-10(13(15)17)9-4-1-2-5-11(9)16-12/h1-2,4-5,8H,3,7H2,(H2,15,17)