4-ethyl-3-(furan-2-yl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(furan-2-yl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-(2-furyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-(2-furanyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(furan-2-yl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-(2-furyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C16H16N4O4S/c1-2-19-15(14-7-4-8-24-14)17-18-16(19)25-10-9-23-13-6-3-5-12(11-13)20(21)22/h3-8,11H,2,9-10H2,1H3