3-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=C(C=C(C=C3)C)OCC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=C(C=C(C=C3)C)OCC

InChI

InChI=1S/C21H24N4O4S/c1-4-24-20(13-29-18-11-6-15(3)12-19(18)28-5-2)22-23-21(24)30-14-16-7-9-17(10-8-16)25(26)27/h6-12H,4-5,13-14H2,1-3H3