2-[4-methoxy-2-(4-methylsulfanylphenyl)sulfanyl-phenyl]ethanenitrile

Systemtic Name: 2-[4-methoxy-2-(4-methylsulfanylphenyl)sulfanyl-phenyl]ethanenitrile Openeye Name: 2-[4-methoxy-2-(4-methylsulfanylphenyl)sulfanyl-phenyl]acetonitrile CAS Name: 2-[4-methoxy-2-[[4-(methylthio)phenyl]thio]phenyl]acetonitrile IUPAC Name: 2-[4-methoxy-2-(4-methylsulfanylphenyl)sulfanylphenyl]acetonitrile Traditional Name: 2-[4-methoxy-2-[[4-(methylthio)phenyl]thio]phenyl]acetonitrile Formula: C16H15NOS2 MolecularWeight: 301.4264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NOS2/c1-18-13-4-3-12(9-10-17)16(11-13)20-15-7-5-14(19-2)6-8-15/h3-8,11H,9H2,1-2H3