2-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)ethanenitrile

Systemtic Name: 2-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)ethanenitrile Openeye Name: 2-(isopropylamino)-2-(4-methylsulfanylphenyl)acetonitrile CAS Name: 2-[4-(methylthio)phenyl]-2-(propan-2-ylamino)acetonitrile IUPAC Name: 2-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)acetonitrile Traditional Name: 2-(isopropylamino)-2-[4-(methylthio)phenyl]acetonitrile Formula: C12H16N2S MolecularWeight: 220.33384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2S/c1-9(2)14-12(8-13)10-4-6-11(15-3)7-5-10/h4-7,9,12,14H,1-3H3