N-(2-ethyl-6-methyl-phenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)N3C(=O)C=CC(=N3)SC4=CC=C(C=C4)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC=C(C=C2)N3C(=O)C=CC(=N3)SC4=CC=C(C=C4)C)C

InChI

InChI=1S/C27H25N3O2S/c1-4-20-7-5-6-19(3)26(20)28-27(32)21-10-12-22(13-11-21)30-25(31)17-16-24(29-30)33-23-14-8-18(2)9-15-23/h5-17H,4H2,1-3H3,(H,28,32)