N-[4-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-(4-chlorophenyl)-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C21H15ClN2O4S MolecularWeight: 426.8728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O4S/c22-16-6-4-14(5-7-16)20(25)13-29-19-10-8-17(9-11-19)23-21(26)15-2-1-3-18(12-15)24(27)28/h1-12H,13H2,(H,23,26)