(E)-3-azanyl-2-[2-(phenylmethylsulfanyl)ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(phenylmethylsulfanyl)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-(2-benzylsulfanylacetyl)but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-(phenylmethylthio)ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-(2-benzylsulfanylacetyl)but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(benzylthio)acetyl]but-2-enenitrile Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSCC1=CC=CC=C1)/N

InChI

InChI=1S/C13H14N2OS/c1-10(15)12(7-14)13(16)9-17-8-11-5-3-2-4-6-11/h2-6H,8-9,15H2,1H3/b12-10+