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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-4-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazole Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2C)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3OS/c1-14(2)18-10-5-15(3)11-19(18)26-12-20-23-24-21(25(20)4)27-13-16-6-8-17(22)9-7-16/h5-11,14H,12-13H2,1-4H3