2-(3,4-dimethoxy-2-phenylsulfanyl-phenyl)ethanenitrile

Systemtic Name: 2-(3,4-dimethoxy-2-phenylsulfanyl-phenyl)ethanenitrile Openeye Name: 2-(3,4-dimethoxy-2-phenylsulfanyl-phenyl)acetonitrile CAS Name: 2-[3,4-dimethoxy-2-(phenylthio)phenyl]acetonitrile IUPAC Name: 2-(3,4-dimethoxy-2-phenylsulfanylphenyl)acetonitrile Traditional Name: 2-[3,4-dimethoxy-2-(phenylthio)phenyl]acetonitrile Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC#N)SC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC#N)SC2=CC=CC=C2)OC

InChI

InChI=1S/C16H15NO2S/c1-18-14-9-8-12(10-11-17)16(15(14)19-2)20-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3