2-[1-(4-bromophenyl)-4-phenyl-imidazol-2-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[1-(4-bromophenyl)-4-phenyl-imidazol-2-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[1-(4-bromophenyl)-4-phenyl-imidazol-2-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[1-(4-bromophenyl)-4-phenyl-2-imidazolyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[1-(4-bromophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[1-(4-bromophenyl)-4-phenyl-imidazol-2-yl]thio]-1-piperidino-ethanone Formula: C22H22BrN3OS MolecularWeight: 456.39858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=CN2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=CN2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H22BrN3OS/c23-18-9-11-19(12-10-18)26-15-20(17-7-3-1-4-8-17)24-22(26)28-16-21(27)25-13-5-2-6-14-25/h1,3-4,7-12,15H,2,5-6,13-14,16H2