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

Systemtic Name: 2-[[4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-(besylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S2/c1-22-16(13-27(24,25)15-10-6-3-7-11-15)20-21-18(22)26-12-17(23)19-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,19,23)