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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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