3-[(3-methoxyphenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-[(3-methoxyphenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(3-methoxyphenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(3-methoxyphenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(3-methoxyphenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(3-methoxyphenoxy)methyl]-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC(=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC(=C3)OC

InChI

InChI=1S/C18H18N4O4S/c1-21-17(11-26-16-5-3-4-15(10-16)25-2)19-20-18(21)27-12-13-6-8-14(9-7-13)22(23)24/h3-10H,11-12H2,1-2H3