3-[(4-nitrophenyl)methylsulfanyl]-5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-nitrophenyl)methylsulfanyl]-5-[(2-phenylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-nitrophenyl)methylthio]-5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-[(2-phenylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-nitrobenzyl)thio]-5-[(2-phenylphenoxy)methyl]-1,2,4-triazole Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S/c1-2-16-28-24(17-32-23-11-7-6-10-22(23)20-8-4-3-5-9-20)26-27-25(28)33-18-19-12-14-21(15-13-19)29(30)31/h2-15H,1,16-18H2