2-[(3-cyanophenyl)methylsulfanyl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(3-cyanophenyl)methylsulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[(3-cyanophenyl)methylsulfanyl]-N-isopropyl-acetamide CAS Name: 2-[(3-cyanophenyl)methylthio]-N-propan-2-ylacetamide IUPAC Name: 2-[(3-cyanophenyl)methylsulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[(3-cyanobenzyl)thio]-N-isopropyl-acetamide Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSCC1=CC=CC(=C1)C#N

Isomeric SMILES

CC(C)NC(=O)CSCC1=CC=CC(=C1)C#N

InChI

InChI=1S/C13H16N2OS/c1-10(2)15-13(16)9-17-8-12-5-3-4-11(6-12)7-14/h3-6,10H,8-9H2,1-2H3,(H,15,16)