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

Systemtic Name: N-[4-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-(3,4-dichlorophenyl)-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-(3,4-dichlorophenyl)-2-keto-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C21H14Cl2N2O4S MolecularWeight: 461.31786

Click to see the large picture

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)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)Cl

InChI

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