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

Systemtic Name: 2-[[4-(3-methylphenoxy)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-isopropyl-6-(3-methylphenoxy)pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-(3-methylphenoxy)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-(3-methylphenoxy)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-isopropyl-6-(3-methylphenoxy)pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS/c1-15(2)20-12-21(26-19-10-6-7-16(3)11-19)25-22(24-20)27-14-18-9-5-4-8-17(18)13-23/h4-12,15H,14H2,1-3H3