2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-1-(3-nitrophenyl)ethanone Openeye Name: 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-1-(3-nitrophenyl)ethanone CAS Name: 2-[[6-(3,4-dimethylphenyl)-3-pyridazinyl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[6-(3,4-dimethylphenyl)pyridazin-3-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S/c1-13-6-7-15(10-14(13)2)18-8-9-20(22-21-18)27-12-19(24)16-4-3-5-17(11-16)23(25)26/h3-11H,12H2,1-2H3