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

Systemtic Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-(2,4,6-trimethylphenyl)benzamide Openeye Name: 4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]-N-(2,4,6-trimethylphenyl)benzamide CAS Name: 4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]-N-(2,4,6-trimethylphenyl)benzamide IUPAC Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(2,4,6-trimethylphenyl)benzamide Traditional Name: 4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]-N-mesityl-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=C(C=C(C=C4C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C27H25N3O2S/c1-17-5-11-23(12-6-17)33-24-13-14-25(31)30(29-24)22-9-7-21(8-10-22)27(32)28-26-19(3)15-18(2)16-20(26)4/h5-16H,1-4H3,(H,28,32)