N-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methylsulfanyl]-N-methyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methylsulfanyl]-N-methyl-propanamide Openeye Name: N-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methylsulfanyl]-N-methyl-propanamide CAS Name: N-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methylthio]-N-methylpropanamide IUPAC Name: N-(2-cyanoethyl)-3-[(3,4-dichlorophenyl)methylsulfanyl]-N-methylpropanamide Traditional Name: N-(2-cyanoethyl)-3-[(3,4-dichlorobenzyl)thio]-N-methyl-propionamide Formula: C14H16Cl2N2OS MolecularWeight: 331.26064

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CCSCC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CN(CCC#N)C(=O)CCSCC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C14H16Cl2N2OS/c1-18(7-2-6-17)14(19)5-8-20-10-11-3-4-12(15)13(16)9-11/h3-4,9H,2,5,7-8,10H2,1H3