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

Systemtic Name: 3-[[4-(3,4-dimethylphenoxy)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(3,4-dimethylphenoxy)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(3,4-dimethylphenoxy)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(3,4-dimethylphenoxy)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(3,4-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=C(C=C1)OC2=NC(=NC(=C2)C(C)C)SCC3=CC=CC(=C3)C#N)C

Isomeric SMILES

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

InChI

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