4-methyl-3-[(2-methylphenyl)methylsulfanyl]-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(2-methylphenyl)methylsulfanyl]-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazole Openeye Name: 3-(4-isobutoxyphenyl)-4-methyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-methyl-3-[(2-methylphenyl)methylthio]-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(2-methylphenyl)methylsulfanyl]-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazole Traditional Name: 3-(4-isobutoxyphenyl)-4-methyl-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)OCC(C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)OCC(C)C

InChI

InChI=1S/C21H25N3OS/c1-15(2)13-25-19-11-9-17(10-12-19)20-22-23-21(24(20)4)26-14-18-8-6-5-7-16(18)3/h5-12,15H,13-14H2,1-4H3