2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[(4,6-diphenyl-2-pyrimidinyl)thio]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[(4,6-diphenylpyrimidin-2-yl)thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O3S/c1-17-14-20(29(31)32)12-13-21(17)26-24(30)16-33-25-27-22(18-8-4-2-5-9-18)15-23(28-25)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,26,30)