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

Systemtic Name: 2-[[4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(besylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCCC2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCCC2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O3S2/c1-2-22-16(14-27(24,25)15-9-5-3-6-10-15)19-20-18(22)26-13-17(23)21-11-7-4-8-12-21/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3