3-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide

Systemtic Name: 3-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide Openeye Name: 3-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-[2-(1-piperidyl)ethyl]benzamide CAS Name: 3-[[[6-(4-fluorophenyl)-3-pyridazinyl]thio]methyl]-N-[2-(1-piperidinyl)ethyl]benzamide IUPAC Name: 3-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide Traditional Name: 3-[[[6-(4-fluorophenyl)pyridazin-3-yl]thio]methyl]-N-(2-piperidinoethyl)benzamide Formula: C25H27FN4OS MolecularWeight: 450.571483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)CCNC(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H27FN4OS/c26-22-9-7-20(8-10-22)23-11-12-24(29-28-23)32-18-19-5-4-6-21(17-19)25(31)27-13-16-30-14-2-1-3-15-30/h4-12,17H,1-3,13-16,18H2,(H,27,31)