3-[(3-methylsulfanylphenyl)amino]pentanenitrile

Systemtic Name: 3-[(3-methylsulfanylphenyl)amino]pentanenitrile Openeye Name: 3-(3-methylsulfanylanilino)pentanenitrile CAS Name: 3-[3-(methylthio)anilino]pentanenitrile IUPAC Name: 3-(3-methylsulfanylanilino)pentanenitrile Traditional Name: 3-[3-(methylthio)anilino]valeronitrile Formula: C12H16N2S MolecularWeight: 220.33384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)NC1=CC(=CC=C1)SC

Isomeric SMILES

CCC(CC#N)NC1=CC(=CC=C1)SC

InChI

InChI=1S/C12H16N2S/c1-3-10(7-8-13)14-11-5-4-6-12(9-11)15-2/h4-6,9-10,14H,3,7H2,1-2H3