1-(2-bromanyl-5-nitro-phenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2-bromanyl-5-nitro-phenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2-bromo-5-nitro-phenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2-bromo-5-nitrophenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2-bromo-5-nitrophenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2-bromo-5-nitro-phenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C12H11BrN4O3S MolecularWeight: 371.20974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H11BrN4O3S/c1-2-11-14-12(16-15-11)21-6-10(18)8-5-7(17(19)20)3-4-9(8)13/h3-5H,2,6H2,1H3,(H,14,15,16)