N-[(1S)-2-cyano-1-phenyl-ethyl]-3-methylsulfanyl-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-2-cyano-1-phenyl-ethyl]-3-methylsulfanyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-2-cyano-1-phenyl-ethyl]-3-methylsulfanyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-2-cyano-1-phenylethyl]-3-(methylthio)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-2-cyano-1-phenylethyl]-3-methylsulfanyl-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-2-cyano-1-phenyl-ethyl]-3-(methylthio)-2-phenyl-cinchoninamide Formula: C26H21N3OS MolecularWeight: 423.52944

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC(CC#N)C4=CC=CC=C4

Isomeric SMILES

CSC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)N[C@@H](CC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H21N3OS/c1-31-25-23(26(30)29-21(16-17-27)18-10-4-2-5-11-18)20-14-8-9-15-22(20)28-24(25)19-12-6-3-7-13-19/h2-15,21H,16H2,1H3,(H,29,30)/t21-/m0/s1