1-(azepan-1-yl)-2-[[4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(besylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCCCC2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCCCC2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O3S2/c1-21-16(14-27(24,25)15-9-5-4-6-10-15)19-20-18(21)26-13-17(23)22-11-7-2-3-8-12-22/h4-6,9-10H,2-3,7-8,11-14H2,1H3