2-[4-(3-methylsulfanylpropylamino)phenoxy]ethanenitrile

Systemtic Name: 2-[4-(3-methylsulfanylpropylamino)phenoxy]ethanenitrile Openeye Name: 2-[4-(3-methylsulfanylpropylamino)phenoxy]acetonitrile CAS Name: 2-[4-[3-(methylthio)propylamino]phenoxy]acetonitrile IUPAC Name: 2-[4-(3-methylsulfanylpropylamino)phenoxy]acetonitrile Traditional Name: 2-[4-[3-(methylthio)propylamino]phenoxy]acetonitrile Formula: C12H16N2OS MolecularWeight: 236.33324

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC1=CC=C(C=C1)OCC#N

Isomeric SMILES

CSCCCNC1=CC=C(C=C1)OCC#N

InChI

InChI=1S/C12H16N2OS/c1-16-10-2-8-14-11-3-5-12(6-4-11)15-9-7-13/h3-6,14H,2,8-10H2,1H3