2-[4-(cyanomethyl)-5-dodecoxy-2-methylsulfanyl-phenyl]ethanenitrile

Systemtic Name: 2-[4-(cyanomethyl)-5-dodecoxy-2-methylsulfanyl-phenyl]ethanenitrile Openeye Name: 2-[4-(cyanomethyl)-5-dodecoxy-2-methylsulfanyl-phenyl]acetonitrile CAS Name: 2-[4-(cyanomethyl)-5-dodecoxy-2-(methylthio)phenyl]acetonitrile IUPAC Name: 2-[4-(cyanomethyl)-5-dodecoxy-2-methylsulfanylphenyl]acetonitrile Traditional Name: 2-[4-(cyanomethyl)-5-lauryloxy-2-(methylthio)phenyl]acetonitrile Formula: C23H34N2OS MolecularWeight: 386.59386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C(=C1)CC#N)SC)CC#N

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C(=C1)CC#N)SC)CC#N

InChI

InChI=1S/C23H34N2OS/c1-3-4-5-6-7-8-9-10-11-12-17-26-22-18-21(14-16-25)23(27-2)19-20(22)13-15-24/h18-19H,3-14,17H2,1-2H3