2-bromanyl-N-[[5-[2-(4-ethoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 2-bromanyl-N-[[5-[2-(4-ethoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-bromo-N-[[5-[2-(4-ethoxy-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 2-bromo-N-[[5-[[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-bromo-N-[[5-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 2-bromo-N-[[5-[[2-(4-ethoxy-3-nitro-phenyl)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H22BrN5O5S MolecularWeight: 548.40958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])CNC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])CNC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H22BrN5O5S/c1-3-27-20(12-24-21(30)15-7-5-6-8-16(15)23)25-26-22(27)34-13-18(29)14-9-10-19(33-4-2)17(11-14)28(31)32/h5-11H,3-4,12-13H2,1-2H3,(H,24,30)