N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(5-nitro-2-oxo-1-pyridyl)acetamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-(2-keto-5-nitro-1-pyridyl)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)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

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