2-[4-[(2S)-2-oxidanyl-3-quinolin-2-ylsulfanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(2S)-2-oxidanyl-3-quinolin-2-ylsulfanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[(2S)-2-hydroxy-3-(2-quinolylsulfanyl)propoxy]phenyl]acetonitrile CAS Name: 2-[4-[(2S)-2-hydroxy-3-(2-quinolinylthio)propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[(2S)-2-hydroxy-3-quinolin-2-ylsulfanylpropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[(2S)-2-hydroxy-3-(2-quinolylthio)propoxy]phenyl]acetonitrile Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SC[C@H](COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C20H18N2O2S/c21-12-11-15-5-8-18(9-6-15)24-13-17(23)14-25-20-10-7-16-3-1-2-4-19(16)22-20/h1-10,17,23H,11,13-14H2/t17-/m0/s1