2-bromanyl-4,5-dimethoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide

Systemtic Name: 2-bromanyl-4,5-dimethoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide Openeye Name: 2-bromo-4,5-dimethoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide CAS Name: 2-bromo-4,5-dimethoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]benzenesulfonamide IUPAC Name: 2-bromo-4,5-dimethoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide Traditional Name: 2-bromo-4,5-dimethoxy-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]benzenesulfonamide Formula: C17H17BrN4O4S2 MolecularWeight: 485.37528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br

Isomeric SMILES

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br

InChI

InChI=1S/C17H17BrN4O4S2/c1-22-10-19-20-17(22)27-12-6-4-11(5-7-12)21-28(23,24)16-9-15(26-3)14(25-2)8-13(16)18/h4-10,21H,1-3H3