3-[(2,6-dimethylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-[(2,6-dimethylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(2,6-dimethylphenoxy)methyl]-4-isopropyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(2,6-dimethylphenoxy)methyl]-5-[(4-nitrophenyl)methylthio]-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(2,6-dimethylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(2,6-dimethylphenoxy)methyl]-4-isopropyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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