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

Systemtic Name: 3-[[4-(2-methylphenoxy)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-isopropyl-6-(2-methylphenoxy)pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(2-methylphenoxy)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(2-methylphenoxy)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-isopropyl-6-(2-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=C1OC2=NC(=NC(=C2)C(C)C)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1OC2=NC(=NC(=C2)C(C)C)SCC3=CC=CC(=C3)C#N

InChI

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