1-(azepan-1-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NN=C1SCC(=O)N2CCCCCC2

Isomeric SMILES

COCCN1C=NN=C1SCC(=O)N2CCCCCC2

InChI

InChI=1S/C13H22N4O2S/c1-19-9-8-17-11-14-15-13(17)20-10-12(18)16-6-4-2-3-5-7-16/h11H,2-10H2,1H3