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

Systemtic Name: 1-[4-(4-bromophenyl)phenyl]-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(4-bromophenyl)phenyl]-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(4-bromophenyl)phenyl]-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(4-bromophenyl)phenyl]-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-bromophenyl)phenyl]-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]ethanone Formula: C24H25BrN4OS MolecularWeight: 497.4505

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C24H25BrN4OS/c25-20-10-8-18(9-11-20)17-4-6-19(7-5-17)22(30)16-31-24-27-26-23(29(24)21-12-13-21)28-14-2-1-3-15-28/h4-11,21H,1-3,12-16H2