2-(4-acetamidophenyl)sulfanyl-N,N-bis(2-cyanoethyl)ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N,N-bis(2-cyanoethyl)ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N,N-bis(2-cyanoethyl)acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N,N-bis(2-cyanoethyl)acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N,N-bis(2-cyanoethyl)acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H18N4O2S/c1-13(21)19-14-4-6-15(7-5-14)23-12-16(22)20(10-2-8-17)11-3-9-18/h4-7H,2-3,10-12H2,1H3,(H,19,21)