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

Systemtic Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[(4-isopropylphenoxy)methyl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-[(4-nitrophenyl)methylthio]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[(4-isopropylphenoxy)methyl]-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-14(2)16-6-10-18(11-7-16)27-12-19-21-22-20(23(19)3)28-13-15-4-8-17(9-5-15)24(25)26/h4-11,14H,12-13H2,1-3H3