S-[[3,5-bis(bromanyl)-2-nitro-pyridin-4-yl]methyl] ethanethioate

Systemtic Name: S-[[3,5-bis(bromanyl)-2-nitro-pyridin-4-yl]methyl] ethanethioate Openeye Name: S-[(3,5-dibromo-2-nitro-4-pyridyl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(3,5-dibromo-2-nitro-4-pyridinyl)methyl] ester IUPAC Name: S-[(3,5-dibromo-2-nitropyridin-4-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(3,5-dibromo-2-nitro-4-pyridyl)methyl] ester Formula: C8H6Br2N2O3S MolecularWeight: 370.01784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=C(C(=NC=C1Br)[N+](=O)[O-])Br

Isomeric SMILES

CC(=O)SCC1=C(C(=NC=C1Br)[N+](=O)[O-])Br

InChI

InChI=1S/C8H6Br2N2O3S/c1-4(13)16-3-5-6(9)2-11-8(7(5)10)12(14)15/h2H,3H2,1H3