N-(2-bromanyl-4-nitro-phenyl)-2-[3-cyano-5-ethanoyl-4-(4-ethylphenyl)-6-methyl-pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[3-cyano-5-ethanoyl-4-(4-ethylphenyl)-6-methyl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[[5-acetyl-3-cyano-4-(4-ethylphenyl)-6-methyl-2-pyridyl]sulfanyl]-N-(2-bromo-4-nitro-phenyl)acetamide CAS Name: 2-[[5-acetyl-3-cyano-4-(4-ethylphenyl)-6-methyl-2-pyridinyl]thio]-N-(2-bromo-4-nitrophenyl)acetamide IUPAC Name: 2-[5-acetyl-3-cyano-4-(4-ethylphenyl)-6-methylpyridin-2-yl]sulfanyl-N-(2-bromo-4-nitrophenyl)acetamide Traditional Name: 2-[[5-acetyl-3-cyano-4-(4-ethylphenyl)-6-methyl-2-pyridyl]thio]-N-(2-bromo-4-nitro-phenyl)acetamide Formula: C25H21BrN4O4S MolecularWeight: 553.42764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)C)C)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)C)C)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)C#N

InChI

InChI=1S/C25H21BrN4O4S/c1-4-16-5-7-17(8-6-16)24-19(12-27)25(28-14(2)23(24)15(3)31)35-13-22(32)29-21-10-9-18(30(33)34)11-20(21)26/h5-11H,4,13H2,1-3H3,(H,29,32)