N-(3-methylbutyl)-3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(3-methylbutyl)-3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide Openeye Name: N-isopentyl-3-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]benzamide CAS Name: N-(3-methylbutyl)-3-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]benzamide IUPAC Name: N-(3-methylbutyl)-3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide Traditional Name: N-isoamyl-3-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]benzamide Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=CC(=C3)C(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=CC(=C3)C(=O)NCCC(C)C

InChI

InChI=1S/C24H27N3OS/c1-17(2)13-14-25-24(28)21-6-4-5-19(15-21)16-29-23-12-11-22(26-27-23)20-9-7-18(3)8-10-20/h4-12,15,17H,13-14,16H2,1-3H3,(H,25,28)