2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[[4-(4-chlorophenyl)-6-methyl-2-pyrimidinyl]thio]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C20H17ClN4O4S MolecularWeight: 444.89138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)Cl)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)Cl)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H17ClN4O4S/c1-12-9-17(13-3-5-14(21)6-4-13)24-20(22-12)30-11-19(26)23-16-8-7-15(25(27)28)10-18(16)29-2/h3-10H,11H2,1-2H3,(H,23,26)