4-methyl-5-(4-methylsulfanylphenyl)-4-morpholin-4-yl-5-oxidanylidene-pentanenitrile

Systemtic Name: 4-methyl-5-(4-methylsulfanylphenyl)-4-morpholin-4-yl-5-oxidanylidene-pentanenitrile Openeye Name: 4-methyl-5-(4-methylsulfanylphenyl)-4-morpholino-5-oxo-pentanenitrile CAS Name: 4-methyl-5-[4-(methylthio)phenyl]-4-(4-morpholinyl)-5-oxopentanenitrile IUPAC Name: 4-methyl-5-(4-methylsulfanylphenyl)-4-morpholin-4-yl-5-oxopentanenitrile Traditional Name: 5-keto-4-methyl-5-[4-(methylthio)phenyl]-4-morpholino-valeronitrile Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC#N)(C(=O)C1=CC=C(C=C1)SC)N2CCOCC2

Isomeric SMILES

CC(CCC#N)(C(=O)C1=CC=C(C=C1)SC)N2CCOCC2

InChI

InChI=1S/C17H22N2O2S/c1-17(8-3-9-18,19-10-12-21-13-11-19)16(20)14-4-6-15(22-2)7-5-14/h4-7H,3,8,10-13H2,1-2H3