2-[4-[(2S)-3-(4,8-dimethylquinolin-2-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(2S)-3-(4,8-dimethylquinolin-2-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[(2S)-3-[(4,8-dimethyl-2-quinolyl)sulfanyl]-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[(2S)-3-[(4,8-dimethyl-2-quinolinyl)thio]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[(2S)-3-(4,8-dimethylquinolin-2-yl)sulfanyl-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[(2S)-3-[(4,8-dimethyl-2-quinolyl)thio]-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SC[C@H](COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C22H22N2O2S/c1-15-4-3-5-20-16(2)12-21(24-22(15)20)27-14-18(25)13-26-19-8-6-17(7-9-19)10-11-23/h3-9,12,18,25H,10,13-14H2,1-2H3/t18-/m0/s1