4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-1-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]acetyl]-N-phenyl-piperazine-1-carboxamide Formula: C22H25N7O2S MolecularWeight: 451.5446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C22H25N7O2S/c1-16-14-17(2)29(26-16)19-8-9-20(25-24-19)32-15-21(30)27-10-12-28(13-11-27)22(31)23-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,23,31)