ethyl 2-[2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C13H14BrN5O5S MolecularWeight: 432.24976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H14BrN5O5S/c1-4-24-11(21)9-6(2)7(3)25-10(9)15-8(20)5-18-12(14)16-13(17-18)19(22)23/h4-5H2,1-3H3,(H,15,20)