4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-1-(4-fluorophenyl)butan-1-one Formula: C19H19FN4OS MolecularWeight: 370.443763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCCCC(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCCCC(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C19H19FN4OS/c1-13-12-14(2)24(23-13)18-9-10-19(22-21-18)26-11-3-4-17(25)15-5-7-16(20)8-6-15/h5-10,12H,3-4,11H2,1-2H3