3-[[4-(2-methoxy-4-methyl-phenoxy)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-methoxy-4-methyl-phenoxy)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-isopropyl-6-(2-methoxy-4-methyl-phenoxy)pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(2-methoxy-4-methylphenoxy)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(2-methoxy-4-methylphenoxy)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-isopropyl-6-(2-methoxy-4-methyl-phenoxy)pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=NC(=NC(=C2)C(C)C)SCC3=CC=CC(=C3)C#N)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=NC(=NC(=C2)C(C)C)SCC3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C23H23N3O2S/c1-15(2)19-12-22(28-20-9-8-16(3)10-21(20)27-4)26-23(25-19)29-14-18-7-5-6-17(11-18)13-24/h5-12,15H,14H2,1-4H3