2-phenethylsulfanyl-2-phenoxy-2-(2H-pyran-6-yl)ethanenitrile

Systemtic Name: 2-phenethylsulfanyl-2-phenoxy-2-(2H-pyran-6-yl)ethanenitrile Openeye Name: 2-phenethylsulfanyl-2-phenoxy-2-(2H-pyran-6-yl)acetonitrile CAS Name: 2-(phenethylthio)-2-phenoxy-2-(2H-pyran-6-yl)acetonitrile IUPAC Name: 2-phenethylsulfanyl-2-phenoxy-2-(2H-pyran-6-yl)acetonitrile Traditional Name: 2-(phenethylthio)-2-phenoxy-2-(2H-pyran-6-yl)acetonitrile Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(O1)C(C#N)(OC2=CC=CC=C2)SCCC3=CC=CC=C3

Isomeric SMILES

C1C=CC=C(O1)C(C#N)(OC2=CC=CC=C2)SCCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO2S/c22-17-21(20-13-7-8-15-23-20,24-19-11-5-2-6-12-19)25-16-14-18-9-3-1-4-10-18/h1-13H,14-16H2