3-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]-N,N-diethyl-benzenesulfonamide Formula: C26H25BrN4O3S2 MolecularWeight: 585.5357

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H25BrN4O3S2/c1-3-30(4-2)36(33,34)23-12-8-9-20(17-23)25-28-29-26(31(25)22-10-6-5-7-11-22)35-18-24(32)19-13-15-21(27)16-14-19/h5-17H,3-4,18H2,1-2H3