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

Systemtic Name: 3-[(3-methoxyphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Openeye Name: 3-[(3-methoxyphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole CAS Name: 3-[(3-methoxyphenoxy)methyl]-5-[(4-nitrophenyl)methylthio]-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[(3-methoxyphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazole Traditional Name: 3-[(3-methoxyphenoxy)methyl]-5-[(4-nitrobenzyl)thio]-4-phenethyl-1,2,4-triazole Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O4S/c1-32-22-8-5-9-23(16-22)33-17-24-26-27-25(28(24)15-14-19-6-3-2-4-7-19)34-18-20-10-12-21(13-11-20)29(30)31/h2-13,16H,14-15,17-18H2,1H3