2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C16H14N4O4S MolecularWeight: 358.37176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C16H14N4O4S/c1-2-19-15(14-7-4-8-24-14)17-18-16(19)25-10-13(21)11-5-3-6-12(9-11)20(22)23/h3-9H,2,10H2,1H3