4-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzenesulfonamide Formula: C16H15BrN4O3S2 MolecularWeight: 455.3493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)S(=O)(=O)N)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCCOC3=CC=C(C=C3)S(=O)(=O)N)Br

InChI

InChI=1S/C16H15BrN4O3S2/c17-14-4-2-1-3-13(14)15-19-16(21-20-15)25-10-9-24-11-5-7-12(8-6-11)26(18,22)23/h1-8H,9-10H2,(H2,18,22,23)(H,19,20,21)