2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: 2-[[6-(2,5-dimethylphenyl)-3-pyridazinyl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[6-(2,5-dimethylphenyl)pyridazin-3-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O3S/c1-13-7-8-14(2)15(11-13)16-9-10-20(23-22-16)28-12-19(25)21-17-5-3-4-6-18(17)24(26)27/h3-11H,12H2,1-2H3,(H,21,25)