N-[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]-2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanamide

Systemtic Name: N-[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]-2-(5-cyano-3,4-dimethyl-6-oxidanylidene-pyridazin-1-yl)ethanamide Openeye Name: N-[5-chloro-2-(4-fluorophenyl)sulfanyl-phenyl]-2-(5-cyano-3,4-dimethyl-6-oxo-pyridazin-1-yl)acetamide CAS Name: N-[5-chloro-2-[(4-fluorophenyl)thio]phenyl]-2-(5-cyano-3,4-dimethyl-6-oxo-1-pyridazinyl)acetamide IUPAC Name: N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide Traditional Name: N-[5-chloro-2-[(4-fluorophenyl)thio]phenyl]-2-(5-cyano-6-keto-3,4-dimethyl-pyridazin-1-yl)acetamide Formula: C21H16ClFN4O2S MolecularWeight: 442.893743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)CC(=O)NC2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)F)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)CC(=O)NC2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C21H16ClFN4O2S/c1-12-13(2)26-27(21(29)17(12)10-24)11-20(28)25-18-9-14(22)3-8-19(18)30-16-6-4-15(23)5-7-16/h3-9H,11H2,1-2H3,(H,25,28)