N-(2,5-dimethoxyphenyl)-4-[pyrimidin-2-yl(sulfanyl)methyl]benzamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-[pyrimidin-2-yl(sulfanyl)methyl]benzamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-[pyrimidin-2-yl(sulfanyl)methyl]benzamide CAS Name: N-(2,5-dimethoxyphenyl)-4-[mercapto(2-pyrimidinyl)methyl]benzamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-[pyrimidin-2-yl(sulfanyl)methyl]benzamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-[mercapto(2-pyrimidyl)methyl]benzamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C(C3=NC=CC=N3)S

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C(C3=NC=CC=N3)S

InChI

InChI=1S/C20H19N3O3S/c1-25-15-8-9-17(26-2)16(12-15)23-20(24)14-6-4-13(5-7-14)18(27)19-21-10-3-11-22-19/h3-12,18,27H,1-2H3,(H,23,24)