3-[[4-(4-ethanoylphenoxy)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-ethanoylphenoxy)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-acetylphenoxy)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(4-acetylphenoxy)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(4-acetylphenoxy)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(4-acetylphenoxy)-6-isopropyl-pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C#N)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C#N)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H21N3O2S/c1-15(2)21-12-22(28-20-9-7-19(8-10-20)16(3)27)26-23(25-21)29-14-18-6-4-5-17(11-18)13-24/h4-12,15H,14H2,1-3H3