4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide

Systemtic Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide Openeye Name: N-(4-isopropylphenyl)-4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]benzamide CAS Name: 4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]-N-(4-propan-2-ylphenyl)benzamide IUPAC Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)benzamide Traditional Name: 4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]-N-p-cumenyl-benzamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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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=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O2S/c1-18(2)20-6-10-22(11-7-20)28-27(32)21-8-12-23(13-9-21)30-26(31)17-16-25(29-30)33-24-14-4-19(3)5-15-24/h4-18H,1-3H3,(H,28,32)