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

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-phenyl-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-methyl-2-nitro-phenyl)-2-phenyl-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC(=C(C(=N3)C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC(=C(C(=N3)C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c1-13-10-11-18(19(12-13)26(28)29)25-21(27)20(17-8-6-5-7-9-17)30-22-23-15(3)14(2)16(4)24-22/h5-12,20H,1-4H3,(H,25,27)