1-(3-bromophenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(3-bromophenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3-bromophenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-bromophenyl)-2-[[4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-bromophenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3-bromophenyl)-2-[[4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H23BrN4O3S2 MolecularWeight: 583.51982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C26H23BrN4O3S2/c27-21-10-6-8-19(16-21)24(32)18-35-26-29-28-25(31(26)22-11-2-1-3-12-22)20-9-7-13-23(17-20)36(33,34)30-14-4-5-15-30/h1-3,6-13,16-17H,4-5,14-15,18H2