4-ethyl-3-(furan-2-yl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(furan-2-yl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-(2-furyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-(2-furanyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(furan-2-yl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-(2-furyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-1,2,4-triazole Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=CO3

InChI

InChI=1S/C16H16N4O4S/c1-3-19-15(14-5-4-8-24-14)17-18-16(19)25-10-11-9-12(20(21)22)6-7-13(11)23-2/h4-9H,3,10H2,1-2H3