1-[2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidine

Systemtic Name: 1-[2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidine Openeye Name: 1-[2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidine CAS Name: 1-[2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethyl]piperidine IUPAC Name: 1-[2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidine Traditional Name: 1-[2-[[5-(2-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethyl]piperidine Formula: C21H23BrN4S MolecularWeight: 443.40312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

C1CCN(CC1)CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Br

InChI

InChI=1S/C21H23BrN4S/c22-19-12-6-5-11-18(19)20-23-24-21(26(20)17-9-3-1-4-10-17)27-16-15-25-13-7-2-8-14-25/h1,3-6,9-12H,2,7-8,13-16H2