4-[(4-cyanophenyl)methylsulfanyl]-N-(3-methylphenyl)butanamide

Systemtic Name: 4-[(4-cyanophenyl)methylsulfanyl]-N-(3-methylphenyl)butanamide Openeye Name: 4-[(4-cyanophenyl)methylsulfanyl]-N-(m-tolyl)butanamide CAS Name: 4-[(4-cyanophenyl)methylthio]-N-(3-methylphenyl)butanamide IUPAC Name: 4-[(4-cyanophenyl)methylsulfanyl]-N-(3-methylphenyl)butanamide Traditional Name: 4-[(4-cyanobenzyl)thio]-N-(m-tolyl)butyramide Formula: C19H20N2OS MolecularWeight: 324.4399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H20N2OS/c1-15-4-2-5-18(12-15)21-19(22)6-3-11-23-14-17-9-7-16(13-20)8-10-17/h2,4-5,7-10,12H,3,6,11,14H2,1H3,(H,21,22)