2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-ethyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-ethyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCC2)CS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCC2)CS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H24N4O3S2/c1-3-22-16(13-27(24,25)15-8-6-14(2)7-9-15)19-20-18(22)26-12-17(23)21-10-4-5-11-21/h6-9H,3-5,10-13H2,1-2H3