2-[(2-cyanophenyl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[(2-cyanophenyl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[(2-cyanophenyl)methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[(2-cyanophenyl)methylthio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[(2-cyanophenyl)methylsulfanyl]-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[(2-cyanobenzyl)thio]-N-cyclopropyl-cinchoninamide Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3OS/c22-12-14-5-1-2-6-15(14)13-26-20-11-18(21(25)23-16-9-10-16)17-7-3-4-8-19(17)24-20/h1-8,11,16H,9-10,13H2,(H,23,25)