4-[[4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]methyl]benzonitrile CAS Name: 4-[[4-acetyl-2-[(2-pyrimidinylthio)methyl]phenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenoxy]methyl]benzonitrile Traditional Name: 4-[[4-acetyl-2-[(2-pyrimidylthio)methyl]phenoxy]methyl]benzonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C#N)CSC3=NC=CC=N3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C#N)CSC3=NC=CC=N3

InChI

InChI=1S/C21H17N3O2S/c1-15(25)18-7-8-20(26-13-17-5-3-16(12-22)4-6-17)19(11-18)14-27-21-23-9-2-10-24-21/h2-11H,13-14H2,1H3