4-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenoxy]methyl]benzonitrile CAS Name: 4-[[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenoxy]methyl]benzonitrile Traditional Name: 4-[[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenoxy]methyl]benzonitrile Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H17N3OS/c1-14-11-15(2)23-20(22-14)25-19-9-7-18(8-10-19)24-13-17-5-3-16(12-21)4-6-17/h3-11H,13H2,1-2H3