N-(4-chlorophenyl)-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide

Systemtic Name: N-(4-chlorophenyl)-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide Openeye Name: N-(4-chlorophenyl)-2-(4-methylsulfanyl-3-nitro-benzoyl)benzamide CAS Name: N-(4-chlorophenyl)-2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzamide IUPAC Name: N-(4-chlorophenyl)-2-(4-methylsulfanyl-3-nitrobenzoyl)benzamide Traditional Name: N-(4-chlorophenyl)-2-[4-(methylthio)-3-nitro-benzoyl]benzamide Formula: C21H15ClN2O4S MolecularWeight: 426.8728

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN2O4S/c1-29-19-11-6-13(12-18(19)24(27)28)20(25)16-4-2-3-5-17(16)21(26)23-15-9-7-14(22)8-10-15/h2-12H,1H3,(H,23,26)