5-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C21H19N7S MolecularWeight: 401.48746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC3=C(C(=NN3C4=CC=CC=C4)C)C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC3=C(C(=NN3C4=CC=CC=C4)C)C#N)C

InChI

InChI=1S/C21H19N7S/c1-14-11-15(2)27(25-14)20-9-10-21(24-23-20)29-13-19-18(12-22)16(3)26-28(19)17-7-5-4-6-8-17/h4-11H,13H2,1-3H3