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

Systemtic Name: N-[4-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[4-[[2-(2,4-dichlorophenyl)-2-oxoethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[[2-(2,4-dichlorophenyl)-2-keto-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C21H14Cl2N2O4S MolecularWeight: 461.31786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14Cl2N2O4S/c22-14-3-10-18(19(23)11-14)20(26)12-30-17-8-4-15(5-9-17)24-21(27)13-1-6-16(7-2-13)25(28)29/h1-11H,12H2,(H,24,27)