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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)Br

InChI

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