2-[[4-(4-oxidanylbutyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-(4-oxidanylbutyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-hydroxybutyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-hydroxybutyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(4-hydroxybutyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(4-hydroxybutyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NN=C(N2CCCCO)SCC(=O)N

Isomeric SMILES

C1=CN=CC=C1C2=NN=C(N2CCCCO)SCC(=O)N

InChI

InChI=1S/C13H17N5O2S/c14-11(20)9-21-13-17-16-12(10-3-5-15-6-4-10)18(13)7-1-2-8-19/h3-6,19H,1-2,7-9H2,(H2,14,20)