N-(2-ethanoylphenyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(2-ethanoylphenyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(2-acetylphenyl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(2-acetylphenyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(2-acetylphenyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(2-acetylphenyl)-4-(methylthio)-3-nitro-benzamide Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O4S/c1-10(19)12-5-3-4-6-13(12)17-16(20)11-7-8-15(23-2)14(9-11)18(21)22/h3-9H,1-2H3,(H,17,20)