N-(3,4-dimethoxyphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[(4,6-diphenylpyrimidin-2-yl)thio]acetamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H23N3O3S/c1-31-23-14-13-20(15-24(23)32-2)27-25(30)17-33-26-28-21(18-9-5-3-6-10-18)16-22(29-26)19-11-7-4-8-12-19/h3-16H,17H2,1-2H3,(H,27,30)