2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-propan-1-one CAS Name: 2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperidino)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]propan-1-one Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SC(C)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SC(C)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H29N5OS/c1-17-15-18(2)29(27-17)22-9-10-23(26-25-22)31-19(3)24(30)28-13-11-21(12-14-28)16-20-7-5-4-6-8-20/h4-10,15,19,21H,11-14,16H2,1-3H3