1-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]piperidine

Systemtic Name: 1-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]piperidine Openeye Name: 1-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]piperidine CAS Name: 1-[5-[2-(4-bromophenyl)sulfonylethylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]piperidine IUPAC Name: 1-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]piperidine Traditional Name: 1-[5-(2-brosylethylthio)-4-cyclopropyl-1,2,4-triazol-3-yl]piperidine Formula: C18H23BrN4O2S2 MolecularWeight: 471.43482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCCS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCCS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H23BrN4O2S2/c19-14-4-8-16(9-5-14)27(24,25)13-12-26-18-21-20-17(23(18)15-6-7-15)22-10-2-1-3-11-22/h4-5,8-9,15H,1-3,6-7,10-13H2