1-(azepan-1-yl)-2-[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-2-[[5-(4-bromophenyl)-1-ethyl-2-imidazolyl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[5-(4-bromophenyl)-1-ethylimidazol-2-yl]sulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-2-[[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]thio]propan-1-one Formula: C20H26BrN3OS MolecularWeight: 436.40894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SC(C)C(=O)N2CCCCCC2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C(=CN=C1SC(C)C(=O)N2CCCCCC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H26BrN3OS/c1-3-24-18(16-8-10-17(21)11-9-16)14-22-20(24)26-15(2)19(25)23-12-6-4-5-7-13-23/h8-11,14-15H,3-7,12-13H2,1-2H3