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

Systemtic Name: N-[3-(3-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(3-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(3-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(3-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(3-bromophenyl)-5-phenyl-1,2,4-triazol-4-yl]-4-methyl-benzenesulfonamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=NN=C2C3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=NN=C2C3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H17BrN4O2S/c1-15-10-12-19(13-11-15)29(27,28)25-26-20(16-6-3-2-4-7-16)23-24-21(26)17-8-5-9-18(22)14-17/h2-14,25H,1H3