3-[(4-methylsulfanylphenyl)amino]pentanenitrile

Systemtic Name: 3-[(4-methylsulfanylphenyl)amino]pentanenitrile Openeye Name: 3-(4-methylsulfanylanilino)pentanenitrile CAS Name: 3-[4-(methylthio)anilino]pentanenitrile IUPAC Name: 3-(4-methylsulfanylanilino)pentanenitrile Traditional Name: 3-[4-(methylthio)anilino]valeronitrile Formula: C12H16N2S MolecularWeight: 220.33384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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