3-[(5-ethanoyl-2-propoxy-phenyl)methylsulfanyl]propanenitrile

Systemtic Name: 3-[(5-ethanoyl-2-propoxy-phenyl)methylsulfanyl]propanenitrile Openeye Name: 3-[(5-acetyl-2-propoxy-phenyl)methylsulfanyl]propanenitrile CAS Name: 3-[(5-acetyl-2-propoxyphenyl)methylthio]propanenitrile IUPAC Name: 3-[(5-acetyl-2-propoxyphenyl)methylsulfanyl]propanenitrile Traditional Name: 3-[(5-acetyl-2-propoxy-benzyl)thio]propionitrile Formula: C15H19NO2S MolecularWeight: 277.38186

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)C)CSCCC#N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)C)CSCCC#N

InChI

InChI=1S/C15H19NO2S/c1-3-8-18-15-6-5-13(12(2)17)10-14(15)11-19-9-4-7-16/h5-6,10H,3-4,8-9,11H2,1-2H3