N-(3,4-dimethylphenyl)-4-[3-(4-fluorophenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-[3-(4-fluorophenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide Openeye Name: N-(3,4-dimethylphenyl)-4-[3-(4-fluorophenyl)sulfanyl-6-oxo-pyridazin-1-yl]benzamide CAS Name: N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)thio]-6-oxo-1-pyridazinyl]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide Traditional Name: N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)thio]-6-keto-pyridazin-1-yl]benzamide Formula: C25H20FN3O2S MolecularWeight: 445.508603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C=CC(=N3)SC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C=CC(=N3)SC4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H20FN3O2S/c1-16-3-8-20(15-17(16)2)27-25(31)18-4-9-21(10-5-18)29-24(30)14-13-23(28-29)32-22-11-6-19(26)7-12-22/h3-15H,1-2H3,(H,27,31)