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

Systemtic Name: 2-[[4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(besylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H16N4O3S2 MolecularWeight: 340.42114

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16N4O3S2/c1-2-17-12(15-16-13(17)21-8-11(14)18)9-22(19,20)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,14,18)