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

Systemtic Name: 3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]-N-(4-pyridylmethyl)benzamide CAS Name: 3-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]-N-(4-pyridylmethyl)benzamide Formula: C25H22N4OS MolecularWeight: 426.53338

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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)NCC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=CC(=C3)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C25H22N4OS/c1-18-5-7-21(8-6-18)23-9-10-24(29-28-23)31-17-20-3-2-4-22(15-20)25(30)27-16-19-11-13-26-14-12-19/h2-15H,16-17H2,1H3,(H,27,30)