1-(azepan-1-yl)-2-[[4-ethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[4-ethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-ethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-ethyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-ethyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-ethyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H24N6OS2 MolecularWeight: 392.54206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCCC2)CSC3=NC=CC=N3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCCC2)CSC3=NC=CC=N3

InChI

InChI=1S/C17H24N6OS2/c1-2-23-14(12-25-16-18-8-7-9-19-16)20-21-17(23)26-13-15(24)22-10-5-3-4-6-11-22/h7-9H,2-6,10-13H2,1H3