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

Systemtic Name: 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[6-(3,4-dimethylphenyl)-3-pyridazinyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[6-(3,4-dimethylphenyl)pyridazin-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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