3-[(1S,2S)-2-(3-cyanophenyl)-1-oxidanyl-2-phenylsulfanyl-ethyl]benzenecarbonitrile

Systemtic Name: 3-[(1S,2S)-2-(3-cyanophenyl)-1-oxidanyl-2-phenylsulfanyl-ethyl]benzenecarbonitrile Openeye Name: 3-[(1S,2S)-2-(3-cyanophenyl)-1-hydroxy-2-phenylsulfanyl-ethyl]benzonitrile CAS Name: 3-[(1S,2S)-2-(3-cyanophenyl)-1-hydroxy-2-(phenylthio)ethyl]benzonitrile IUPAC Name: 3-[(1S,2S)-2-(3-cyanophenyl)-1-hydroxy-2-phenylsulfanylethyl]benzonitrile Traditional Name: 3-[(1S,2S)-2-(3-cyanophenyl)-1-hydroxy-2-(phenylthio)ethyl]benzonitrile Formula: C22H16N2OS MolecularWeight: 356.44024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(C2=CC=CC(=C2)C#N)C(C3=CC=CC(=C3)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)S[C@@H](C2=CC=CC(=C2)C#N)[C@H](C3=CC=CC(=C3)C#N)O

InChI

InChI=1S/C22H16N2OS/c23-14-16-6-4-8-18(12-16)21(25)22(26-20-10-2-1-3-11-20)19-9-5-7-17(13-19)15-24/h1-13,21-22,25H/t21-,22-/m0/s1