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

Systemtic Name: 4-ethyl-3-[(4-nitrophenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-[(4-isopropylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-[(4-nitrophenyl)methylthio]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(4-nitrophenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-[(4-isopropylphenoxy)methyl]-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-4-24-20(13-28-19-11-7-17(8-12-19)15(2)3)22-23-21(24)29-14-16-5-9-18(10-6-16)25(26)27/h5-12,15H,4,13-14H2,1-3H3