N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2,5-dimethylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2,5-dimethylphenyl)-4-oxidanylidene-butanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2,5-dimethylphenyl)-4-oxo-butanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-(2,5-dimethylphenyl)-4-keto-butyramide Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C22H24N2O2S/c1-16-7-8-17(2)20(13-16)21(25)9-10-22(26)24-11-12-27-15-19-6-4-3-5-18(19)14-23/h3-8,13H,9-12,15H2,1-2H3,(H,24,26)