1-(4-bromophenyl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-[(5-nitro-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-(5-nitropyridin-2-yl)sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[(5-nitro-2-pyridyl)thio]ethanone Formula: C13H9BrN2O3S MolecularWeight: 353.19116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H9BrN2O3S/c14-10-3-1-9(2-4-10)12(17)8-20-13-6-5-11(7-15-13)16(18)19/h1-7H,8H2