N-(3-fluorophenyl)-2-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: N-(3-fluorophenyl)-2-[[4-(phenylmethyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide Formula: C23H26FN5OS MolecularWeight: 439.548843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C23H26FN5OS/c24-19-10-7-11-20(14-19)25-22(30)17-31-23-27-26-21(16-28-12-5-2-6-13-28)29(23)15-18-8-3-1-4-9-18/h1,3-4,7-11,14H,2,5-6,12-13,15-17H2,(H,25,30)