2-(4-cyanophenoxy)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide

Systemtic Name: 2-(4-cyanophenoxy)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide Openeye Name: 2-(4-cyanophenoxy)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide CAS Name: 2-(4-cyanophenoxy)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]propanamide IUPAC Name: 2-(4-cyanophenoxy)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide Traditional Name: 2-(4-cyanophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]propionamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H20N4O2S/c1-14-12-15(2)25-22(24-14)29-20-10-6-18(7-11-20)26-21(27)16(3)28-19-8-4-17(13-23)5-9-19/h4-12,16H,1-3H3,(H,26,27)