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

Systemtic Name: N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]ethanamide Openeye Name: N-[[4-benzyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]acetamide CAS Name: N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]acetamide IUPAC Name: N-[[4-benzyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]acetamide Traditional Name: N-[[4-benzyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]acetamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=NC=C3

Isomeric SMILES

CC(=O)NCC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=NC=C3

InChI

InChI=1S/C18H19N5OS/c1-14(24)20-11-17-21-22-18(25-13-16-7-9-19-10-8-16)23(17)12-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,24)