3-(4-chlorophenyl)sulfanyl-N,N-bis(cyanomethyl)propanamide

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N,N-bis(cyanomethyl)propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N,N-bis(cyanomethyl)propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N,N-bis(cyanomethyl)propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N,N-bis(cyanomethyl)propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N,N-bis(cyanomethyl)propionamide Formula: C13H12ClN3OS MolecularWeight: 293.77188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC(=O)N(CC#N)CC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCC(=O)N(CC#N)CC#N)Cl

InChI

InChI=1S/C13H12ClN3OS/c14-11-1-3-12(4-2-11)19-10-5-13(18)17(8-6-15)9-7-16/h1-4H,5,8-10H2