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

Systemtic Name: N-[4-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[4-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]phenyl]-4-nitro-benzamide Formula: C22H18N2O5S MolecularWeight: 422.45372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O5S/c1-29-19-10-4-15(5-11-19)21(25)14-30-20-12-6-17(7-13-20)23-22(26)16-2-8-18(9-3-16)24(27)28/h2-13H,14H2,1H3,(H,23,26)