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

Systemtic Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-ethoxy-3-nitrophenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-ethoxy-3-nitrophenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H22N4O5S MolecularWeight: 442.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])COC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])COC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O5S/c1-3-24-20(13-30-16-8-6-5-7-9-16)22-23-21(24)31-14-18(26)15-10-11-19(29-4-2)17(12-15)25(27)28/h5-12H,3-4,13-14H2,1-2H3