N-(4,5-dimethyl-2-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3S/c1-13-9-18(19(25(27)28)10-14(13)2)23-20(26)12-29-21-22-15(3)11-17(24-21)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,23,26)