2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]thio]-N-(4-fluorobenzyl)acetamide Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)NCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H20FN3O3S/c1-27-18-9-5-15(11-19(18)28-2)17-8-10-21(25-24-17)29-13-20(26)23-12-14-3-6-16(22)7-4-14/h3-11H,12-13H2,1-2H3,(H,23,26)