4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-1-(4-pyridyl)ethylideneamino]benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[(E)-1-(4-pyridyl)ethylideneamino]benzamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-14-12-15(2)24-21(23-14)28-13-17-4-6-19(7-5-17)20(27)26-25-16(3)18-8-10-22-11-9-18/h4-12H,13H2,1-3H3,(H,26,27)/b25-16+