4-[2-(2-methylpropylsulfanyl)ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(2-methylpropylsulfanyl)ethoxy]benzenecarbonitrile Openeye Name: 4-(2-isobutylsulfanylethoxy)benzonitrile CAS Name: 4-[2-(2-methylpropylthio)ethoxy]benzonitrile IUPAC Name: 4-[2-(2-methylpropylsulfanyl)ethoxy]benzonitrile Traditional Name: 4-[2-(isobutylthio)ethoxy]benzonitrile Formula: C13H17NOS MolecularWeight: 235.34518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCCOC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)CSCCOC1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H17NOS/c1-11(2)10-16-8-7-15-13-5-3-12(9-14)4-6-13/h3-6,11H,7-8,10H2,1-2H3