N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-yl-benzamide Openeye Name: N-[[4-benzyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-(1-piperidyl)benzamide CAS Name: N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]-4-(1-piperidinyl)benzamide IUPAC Name: N-[[4-benzyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylbenzamide Traditional Name: N-[[4-benzyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-4-piperidino-benzamide Formula: C28H30N6OS MolecularWeight: 498.6424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3CC4=CC=CC=C4)SCC5=CC=NC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3CC4=CC=CC=C4)SCC5=CC=NC=C5

InChI

InChI=1S/C28H30N6OS/c35-27(24-9-11-25(12-10-24)33-17-5-2-6-18-33)30-19-26-31-32-28(36-21-23-13-15-29-16-14-23)34(26)20-22-7-3-1-4-8-22/h1,3-4,7-16H,2,5-6,17-21H2,(H,30,35)