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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NN=C(N2C(C)C)SCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NN=C(N2C(C)C)SCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

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