4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]-3-fluoro-benzonitrile CAS Name: 4-[[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]-3-fluorobenzonitrile Traditional Name: 4-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]methyl]-3-fluoro-benzonitrile Formula: C17H14FN5S MolecularWeight: 339.389963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC3=C(C=C(C=C3)C#N)F)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC3=C(C=C(C=C3)C#N)F)C

InChI

InChI=1S/C17H14FN5S/c1-11-7-12(2)23(22-11)16-5-6-17(21-20-16)24-10-14-4-3-13(9-19)8-15(14)18/h3-8H,10H2,1-2H3