N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(2-nitropyridin-3-yl)oxy-ethanamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(2-nitropyridin-3-yl)oxy-ethanamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-[(2-nitro-3-pyridyl)oxy]acetamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(2-nitropyridin-3-yl)oxyacetamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-[(2-nitro-3-pyridyl)oxy]acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c1-14-5-6-15(2)19(12-14)29-17-9-7-16(8-10-17)23-20(25)13-28-18-4-3-11-22-21(18)24(26)27/h3-12H,13H2,1-2H3,(H,23,25)