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

Systemtic Name: N-(3-ethanoylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide Openeye Name: N-(3-acetylphenyl)-4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]benzamide CAS Name: N-(3-acetylphenyl)-4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]benzamide IUPAC Name: N-(3-acetylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide Traditional Name: N-(3-acetylphenyl)-4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]benzamide Formula: C26H21N3O3S MolecularWeight: 455.52824

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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)NC4=CC=CC(=C4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)C

InChI

InChI=1S/C26H21N3O3S/c1-17-6-12-23(13-7-17)33-24-14-15-25(31)29(28-24)22-10-8-19(9-11-22)26(32)27-21-5-3-4-20(16-21)18(2)30/h3-16H,1-2H3,(H,27,32)