2-(4-pyrimidin-2-ylsulfanylbutoxy)benzenecarbonitrile

Systemtic Name: 2-(4-pyrimidin-2-ylsulfanylbutoxy)benzenecarbonitrile Openeye Name: 2-(4-pyrimidin-2-ylsulfanylbutoxy)benzonitrile CAS Name: 2-[4-(2-pyrimidinylthio)butoxy]benzonitrile IUPAC Name: 2-(4-pyrimidin-2-ylsulfanylbutoxy)benzonitrile Traditional Name: 2-[4-(2-pyrimidylthio)butoxy]benzonitrile Formula: C15H15N3OS MolecularWeight: 285.3641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCCCCSC2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCCCCSC2=NC=CC=N2

InChI

InChI=1S/C15H15N3OS/c16-12-13-6-1-2-7-14(13)19-10-3-4-11-20-15-17-8-5-9-18-15/h1-2,5-9H,3-4,10-11H2