4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(2-methylphenyl)methylideneamino]benzamide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(2-methylphenyl)methylideneamino]benzamide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-o-tolylmethyleneamino]benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[(E)-(2-methylphenyl)methylideneamino]benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(2-methylphenyl)methylideneamino]benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[(E)-(2-methylbenzylidene)amino]benzamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=NNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=CC=C1/C=N/NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H22N4OS/c1-15-6-4-5-7-20(15)13-23-26-21(27)19-10-8-18(9-11-19)14-28-22-24-16(2)12-17(3)25-22/h4-13H,14H2,1-3H3,(H,26,27)/b23-13+