3-[5-(4-bromophenyl)-1-methyl-imidazol-2-yl]sulfanylazepan-2-one

Systemtic Name: 3-[5-(4-bromophenyl)-1-methyl-imidazol-2-yl]sulfanylazepan-2-one Openeye Name: 3-[5-(4-bromophenyl)-1-methyl-imidazol-2-yl]sulfanylazepan-2-one CAS Name: 3-[[5-(4-bromophenyl)-1-methyl-2-imidazolyl]thio]-2-azepanone IUPAC Name: 3-[5-(4-bromophenyl)-1-methylimidazol-2-yl]sulfanylazepan-2-one Traditional Name: 3-[[5-(4-bromophenyl)-1-methyl-imidazol-2-yl]thio]azepan-2-one Formula: C16H18BrN3OS MolecularWeight: 380.30262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC2CCCCNC2=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=CN=C1SC2CCCCNC2=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H18BrN3OS/c1-20-13(11-5-7-12(17)8-6-11)10-19-16(20)22-14-4-2-3-9-18-15(14)21/h5-8,10,14H,2-4,9H2,1H3,(H,18,21)