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

Systemtic Name: 2-[[4-(2,3-dimethylphenoxy)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-(2,3-dimethylphenoxy)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(2,3-dimethylphenoxy)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(2,3-dimethylphenoxy)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-(2,3-dimethylphenoxy)-6-isopropyl-pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2=NC(=NC(=C2)C(C)C)SCC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC2=NC(=NC(=C2)C(C)C)SCC3=CC=CC=C3C#N)C

InChI

InChI=1S/C23H23N3OS/c1-15(2)20-12-22(27-21-11-7-8-16(3)17(21)4)26-23(25-20)28-14-19-10-6-5-9-18(19)13-24/h5-12,15H,14H2,1-4H3