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

Systemtic Name: (3S)-3-[1-(4-bromophenyl)imidazol-2-yl]sulfanylazepan-2-one Openeye Name: (3S)-3-[1-(4-bromophenyl)imidazol-2-yl]sulfanylazepan-2-one CAS Name: (3S)-3-[[1-(4-bromophenyl)-2-imidazolyl]thio]-2-azepanone IUPAC Name: (3S)-3-[1-(4-bromophenyl)imidazol-2-yl]sulfanylazepan-2-one Traditional Name: (3S)-3-[[1-(4-bromophenyl)imidazol-2-yl]thio]azepan-2-one Formula: C15H16BrN3OS MolecularWeight: 366.27604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H16BrN3OS/c16-11-4-6-12(7-5-11)19-10-9-18-15(19)21-13-3-1-2-8-17-14(13)20/h4-7,9-10,13H,1-3,8H2,(H,17,20)/t13-/m0/s1