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

Systemtic Name: 1-(2-bromanyl-5-nitro-phenyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2-bromo-5-nitro-phenyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2-bromo-5-nitrophenyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2-bromo-5-nitrophenyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2-bromo-5-nitro-phenyl)-2-[(4,5-diethyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C14H15BrN4O3S MolecularWeight: 399.2629

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC)SCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCC1=NN=C(N1CC)SCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C14H15BrN4O3S/c1-3-13-16-17-14(18(13)4-2)23-8-12(20)10-7-9(19(21)22)5-6-11(10)15/h5-7H,3-4,8H2,1-2H3