2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide

Systemtic Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: 2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-N-[1-(phenylmethyl)-3-pyrrolidinyl]acetamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]acetamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)NC3CCN(C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)NC3CCN(C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H26N6OS/c1-16-12-17(2)28(26-16)20-8-9-22(25-24-20)30-15-21(29)23-19-10-11-27(14-19)13-18-6-4-3-5-7-18/h3-9,12,19H,10-11,13-15H2,1-2H3,(H,23,29)