N-[4-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[4-[[2-(4-bromophenyl)-2-oxoethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[[2-(4-bromophenyl)-2-keto-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C21H15BrN2O4S MolecularWeight: 471.3238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrN2O4S/c22-16-5-1-14(2-6-16)20(25)13-29-19-11-7-17(8-12-19)23-21(26)15-3-9-18(10-4-15)24(27)28/h1-12H,13H2,(H,23,26)