2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]methyl]benzonitrile Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC3=CC=CC=C3C#N)C

InChI

InChI=1S/C17H15N5S/c1-12-9-13(2)22(21-12)16-7-8-17(20-19-16)23-11-15-6-4-3-5-14(15)10-18/h3-9H,11H2,1-2H3