N-(3-nitrophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(3-nitrophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(3-nitrophenyl)-2-[[6-(2,4,5-trimethylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(3-nitrophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(3-nitrophenyl)-2-[[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN=C(C=C2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H20N4O3S/c1-13-9-15(3)18(10-14(13)2)19-7-8-21(24-23-19)29-12-20(26)22-16-5-4-6-17(11-16)25(27)28/h4-11H,12H2,1-3H3,(H,22,26)