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

Systemtic Name: N-[4-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(2-methoxyphenyl)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-(2-methoxyphenyl)-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-keto-2-(2-methoxyphenyl)ethyl]thio]phenyl]-3-nitro-benzamide Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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