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

Systemtic Name: 2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-N-phenyl-benzamide Openeye Name: 2-(4-methylsulfanyl-3-nitro-benzoyl)-N-phenyl-benzamide CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-N-phenylbenzamide IUPAC Name: 2-(4-methylsulfanyl-3-nitrobenzoyl)-N-phenylbenzamide Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]-N-phenyl-benzamide Formula: C21H16N2O4S MolecularWeight: 392.42774

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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=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O4S/c1-28-19-12-11-14(13-18(19)23(26)27)20(24)16-9-5-6-10-17(16)21(25)22-15-7-3-2-4-8-15/h2-13H,1H3,(H,22,25)