N,N-bis(cyanomethyl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N,N-bis(cyanomethyl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N,N-bis(cyanomethyl)acetamide CAS Name: N,N-bis(cyanomethyl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N,N-bis(cyanomethyl)acetamide Traditional Name: 2-(benzylthio)-N,N-bis(cyanomethyl)acetamide Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)N(CC#N)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)N(CC#N)CC#N

InChI

InChI=1S/C13H13N3OS/c14-6-8-16(9-7-15)13(17)11-18-10-12-4-2-1-3-5-12/h1-5H,8-11H2