2-(1-cyanoethylsulfanyl)-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-(1-cyanoethylsulfanyl)-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-(1-cyanoethylsulfanyl)-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-(1-cyanoethylthio)-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-(1-cyanoethylsulfanyl)-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-(1-cyanoethylthio)-N-cyclopropyl-cinchoninamide Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

Isomeric SMILES

CC(C#N)SC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

InChI

InChI=1S/C16H15N3OS/c1-10(9-17)21-15-8-13(16(20)18-11-6-7-11)12-4-2-3-5-14(12)19-15/h2-5,8,10-11H,6-7H2,1H3,(H,18,20)