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

Systemtic Name: 3-[[4-(3-methoxyphenoxy)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-isopropyl-6-(3-methoxyphenoxy)pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(3-methoxyphenoxy)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(3-methoxyphenoxy)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-isopropyl-6-(3-methoxyphenoxy)pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-15(2)20-12-21(27-19-9-5-8-18(11-19)26-3)25-22(24-20)28-14-17-7-4-6-16(10-17)13-23/h4-12,15H,14H2,1-3H3