4-(4-dimethylaminophenyl)sulfanyl-6-ethanoyl-2-(4-fluorophenyl)-5-methyl-pyridazin-3-one

Systemtic Name: 4-(4-dimethylaminophenyl)sulfanyl-6-ethanoyl-2-(4-fluorophenyl)-5-methyl-pyridazin-3-one Openeye Name: 6-acetyl-4-(4-dimethylaminophenyl)sulfanyl-2-(4-fluorophenyl)-5-methyl-pyridazin-3-one CAS Name: 6-acetyl-4-[(4-dimethylaminophenyl)thio]-2-(4-fluorophenyl)-5-methyl-3-pyridazinone IUPAC Name: 6-acetyl-4-(4-dimethylaminophenyl)sulfanyl-2-(4-fluorophenyl)-5-methylpyridazin-3-one Traditional Name: 6-acetyl-4-[(4-dimethylaminophenyl)thio]-2-(4-fluorophenyl)-5-methyl-pyridazin-3-one Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O2S/c1-13-19(14(2)26)23-25(17-7-5-15(22)6-8-17)21(27)20(13)28-18-11-9-16(10-12-18)24(3)4/h5-12H,1-4H3