4-[2-(4-bromophenyl)sulfanylpyridin-3-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[2-(4-bromophenyl)sulfanylpyridin-3-yl]carbonylpiperazin-2-one Openeye Name: 4-[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]piperazin-2-one CAS Name: 4-[[2-[(4-bromophenyl)thio]-3-pyridinyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]piperazin-2-one Traditional Name: 4-[2-[(4-bromophenyl)thio]nicotinoyl]piperazin-2-one Formula: C16H14BrN3O2S MolecularWeight: 392.27026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN3O2S/c17-11-3-5-12(6-4-11)23-15-13(2-1-7-19-15)16(22)20-9-8-18-14(21)10-20/h1-7H,8-10H2,(H,18,21)