N-cyclooctyl-4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide

Systemtic Name: N-cyclooctyl-4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide Openeye Name: N-cyclooctyl-4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]benzamide CAS Name: N-cyclooctyl-4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]benzamide IUPAC Name: N-cyclooctyl-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide Traditional Name: N-cyclooctyl-4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]benzamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NC4CCCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C26H29N3O2S/c1-19-9-15-23(16-10-19)32-24-17-18-25(30)29(28-24)22-13-11-20(12-14-22)26(31)27-21-7-5-3-2-4-6-8-21/h9-18,21H,2-8H2,1H3,(H,27,31)