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

Systemtic Name: 5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-5-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: 5-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]-N-(4-phenylbutan-2-yl)-2-furancarboxamide IUPAC Name: 5-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)furan-2-carboxamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-5-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]-2-furamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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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)NC(C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=C(O3)C(=O)NC(C)CCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-19-8-12-22(13-9-19)24-15-17-26(30-29-24)33-18-23-14-16-25(32-23)27(31)28-20(2)10-11-21-6-4-3-5-7-21/h3-9,12-17,20H,10-11,18H2,1-2H3,(H,28,31)