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

Systemtic Name: 3-[(4-methoxyphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-methoxyphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-methoxyphenoxy)methyl]-5-[(3-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-methoxyphenoxy)methyl]-5-[(3-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-methoxyphenoxy)methyl]-5-[(3-nitrobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-30-20-10-12-21(13-11-20)31-15-22-24-25-23(26(22)18-7-3-2-4-8-18)32-16-17-6-5-9-19(14-17)27(28)29/h2-14H,15-16H2,1H3