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

Systemtic Name: 1-(azepan-1-yl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-(4-bromophenyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[1-(4-bromophenyl)imidazol-2-yl]thio]ethanone Formula: C17H20BrN3OS MolecularWeight: 394.3292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H20BrN3OS/c18-14-5-7-15(8-6-14)21-12-9-19-17(21)23-13-16(22)20-10-3-1-2-4-11-20/h5-9,12H,1-4,10-11,13H2