4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-3-pyridylmethyleneamino]benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[(E)-3-pyridinylmethylideneamino]benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[(E)-3-pyridylmethyleneamino]benzamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CN=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N/N=C/C3=CN=CC=C3)C

InChI

InChI=1S/C20H19N5OS/c1-14-10-15(2)24-20(23-14)27-13-16-5-7-18(8-6-16)19(26)25-22-12-17-4-3-9-21-11-17/h3-12H,13H2,1-2H3,(H,25,26)/b22-12+