1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]carbonyl-2-methyl-piperazin-1-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-yl]carbonyl-2-methyl-piperazin-1-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methyl-piperazin-1-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[4-[[5-[[[6-(4-fluorophenyl)-3-pyridazinyl]thio]methyl]-2-furanyl]-oxomethyl]-2-methyl-1-piperazinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[4-[5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]furan-2-carbonyl]-2-methylpiperazin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[4-[5-[[[6-(4-fluorophenyl)pyridazin-3-yl]thio]methyl]-2-furoyl]-2-methyl-piperazino]-2,2-dimethyl-propan-1-one Formula: C26H29FN4O3S MolecularWeight: 496.596863

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)(C)C)C(=O)C2=CC=C(O2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)(C)C)C(=O)C2=CC=C(O2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H29FN4O3S/c1-17-15-30(13-14-31(17)25(33)26(2,3)4)24(32)22-11-9-20(34-22)16-35-23-12-10-21(28-29-23)18-5-7-19(27)8-6-18/h5-12,17H,13-16H2,1-4H3