(E)-3-azanyl-2-(2-pyridin-2-ylsulfanylethanoyl)but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-(2-pyridin-2-ylsulfanylethanoyl)but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(2-pyridylsulfanyl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-(2-pyridinylthio)ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-(2-pyridin-2-ylsulfanylacetyl)but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(2-pyridylthio)acetyl]but-2-enenitrile Formula: C11H11N3OS MolecularWeight: 233.28954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=CC=CC=N1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=CC=CC=N1)/N

InChI

InChI=1S/C11H11N3OS/c1-8(13)9(6-12)10(15)7-16-11-4-2-3-5-14-11/h2-5H,7,13H2,1H3/b9-8+