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

Systemtic Name: 1-(4-bromophenyl)-2-[[4-phenyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-phenyl-5-[3-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-phenyl-5-[3-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-phenyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-phenyl-5-(3-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C27H25BrN4O3S2 MolecularWeight: 597.5464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H25BrN4O3S2/c28-22-14-12-20(13-15-22)25(33)19-36-27-30-29-26(32(27)23-9-3-1-4-10-23)21-8-7-11-24(18-21)37(34,35)31-16-5-2-6-17-31/h1,3-4,7-15,18H,2,5-6,16-17,19H2