3-[2-cyanoethyl-[2-methyl-1-(4-methylsulfanylphenyl)-1-oxidanylidene-propan-2-yl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[2-methyl-1-(4-methylsulfanylphenyl)-1-oxidanylidene-propan-2-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[1,1-dimethyl-2-(4-methylsulfanylphenyl)-2-oxo-ethyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[2-methyl-1-[4-(methylthio)phenyl]-1-oxopropan-2-yl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[2-methyl-1-(4-methylsulfanylphenyl)-1-oxopropan-2-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[2-keto-1,1-dimethyl-2-[4-(methylthio)phenyl]ethyl]amino]propionitrile Formula: C17H21N3OS MolecularWeight: 315.43314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3OS/c1-17(2,20(12-4-10-18)13-5-11-19)16(21)14-6-8-15(22-3)9-7-14/h6-9H,4-5,12-13H2,1-3H3