4-bromanyl-N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Openeye Name: 4-bromo-N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide CAS Name: 4-bromo-N-[[4-ethyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Traditional Name: 4-bromo-N-[[4-ethyl-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Formula: C19H21BrN4O3S2 MolecularWeight: 497.42904

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC=C2)CNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN4O3S2/c1-2-24-18(14-21-29(25,26)17-10-8-15(20)9-11-17)22-23-19(24)28-13-12-27-16-6-4-3-5-7-16/h3-11,21H,2,12-14H2,1H3