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

Systemtic Name: (E)-3-azanyl-2-(2-pyrimidin-2-ylsulfanylethanoyl)but-2-enenitrile Openeye Name: (E)-3-amino-2-(2-pyrimidin-2-ylsulfanylacetyl)but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-(2-pyrimidinylthio)ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-(2-pyrimidin-2-ylsulfanylacetyl)but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(2-pyrimidylthio)acetyl]but-2-enenitrile Formula: C10H10N4OS MolecularWeight: 234.2776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N4OS/c1-7(12)8(5-11)9(15)6-16-10-13-3-2-4-14-10/h2-4H,6,12H2,1H3/b8-7+