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

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-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-(3,4-difluorophenyl)acetamide CAS Name: N-(3,4-difluorophenyl)-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-(3,4-difluorophenyl)acetamide Traditional Name: 2-[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-N-(3,4-difluorophenyl)acetamide Formula: C23H25F2N5OS MolecularWeight: 457.539306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25F2N5OS/c24-19-10-9-18(13-20(19)25)26-22(31)16-32-23-28-27-21(15-29-11-5-2-6-12-29)30(23)14-17-7-3-1-4-8-17/h1,3-4,7-10,13H,2,5-6,11-12,14-16H2,(H,26,31)