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

Systemtic Name: 4-ethyl-3-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-[(2-isopropyl-5-methyl-phenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-[(2-isopropyl-5-methyl-phenoxy)methyl]-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-5-25-21(13-29-20-12-16(4)6-11-19(20)15(2)3)23-24-22(25)30-14-17-7-9-18(10-8-17)26(27)28/h6-12,15H,5,13-14H2,1-4H3