2-[4-[(2S)-3-(2-methylquinazolin-4-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(2S)-3-(2-methylquinazolin-4-yl)sulfanyl-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[(2S)-2-hydroxy-3-(2-methylquinazolin-4-yl)sulfanyl-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[(2S)-2-hydroxy-3-[(2-methyl-4-quinazolinyl)thio]propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[(2S)-2-hydroxy-3-(2-methylquinazolin-4-yl)sulfanylpropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[(2S)-2-hydroxy-3-[(2-methylquinazolin-4-yl)thio]propoxy]phenyl]acetonitrile Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SC[C@H](COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C20H19N3O2S/c1-14-22-19-5-3-2-4-18(19)20(23-14)26-13-16(24)12-25-17-8-6-15(7-9-17)10-11-21/h2-9,16,24H,10,12-13H2,1H3/t16-/m0/s1