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

Systemtic Name: 2-[4-[(2S)-2-oxidanyl-3-quinazolin-4-ylsulfanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[(2S)-2-hydroxy-3-quinazolin-4-ylsulfanyl-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[(2S)-2-hydroxy-3-(4-quinazolinylthio)propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[(2S)-2-hydroxy-3-quinazolin-4-ylsulfanylpropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[(2S)-2-hydroxy-3-(quinazolin-4-ylthio)propoxy]phenyl]acetonitrile Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O2S/c20-10-9-14-5-7-16(8-6-14)24-11-15(23)12-25-19-17-3-1-2-4-18(17)21-13-22-19/h1-8,13,15,23H,9,11-12H2/t15-/m0/s1