5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide

Systemtic Name: 5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide Openeye Name: N-isobutyl-5-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: 5-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]-N-(2-methylpropyl)-2-furancarboxamide IUPAC Name: 5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide Traditional Name: N-isobutyl-5-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]-2-furamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=C(O3)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=C(O3)C(=O)NCC(C)C

InChI

InChI=1S/C21H23N3O2S/c1-14(2)12-22-21(25)19-10-8-17(26-19)13-27-20-11-9-18(23-24-20)16-6-4-15(3)5-7-16/h4-11,14H,12-13H2,1-3H3,(H,22,25)