4-(2-pyrimidin-2-ylsulfanylethoxy)benzenecarbonitrile

Systemtic Name: 4-(2-pyrimidin-2-ylsulfanylethoxy)benzenecarbonitrile Openeye Name: 4-(2-pyrimidin-2-ylsulfanylethoxy)benzonitrile CAS Name: 4-[2-(2-pyrimidinylthio)ethoxy]benzonitrile IUPAC Name: 4-(2-pyrimidin-2-ylsulfanylethoxy)benzonitrile Traditional Name: 4-[2-(2-pyrimidylthio)ethoxy]benzonitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CN=C(N=C1)SCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H11N3OS/c14-10-11-2-4-12(5-3-11)17-8-9-18-13-15-6-1-7-16-13/h1-7H,8-9H2