4-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-2-cyano-ethyl]sulfanylbutanenitrile

Systemtic Name: 4-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-2-cyano-ethyl]sulfanylbutanenitrile Openeye Name: 4-[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-2-cyano-ethyl]sulfanylbutanenitrile CAS Name: 4-[[1-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-2-cyanoethyl]thio]butanenitrile IUPAC Name: 4-[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-2-cyanoethyl]sulfanylbutanenitrile Traditional Name: 4-[[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-2-cyano-ethyl]thio]butyronitrile Formula: C23H20ClN3OS MolecularWeight: 421.9424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2)C(CC#N)SCCCC#N

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2)C(CC#N)SCCCC#N

InChI

InChI=1S/C23H20ClN3OS/c24-19-8-6-17-7-9-20(27-22(17)15-19)16-28-21-5-3-4-18(14-21)23(10-12-26)29-13-2-1-11-25/h3-9,14-15,23H,1-2,10,13,16H2