3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C29H33N3O2S MolecularWeight: 487.65622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)OC)C)C(C)(C)C

InChI

InChI=1S/C29H33N3O2S/c1-20-16-22(29(3,4)5)17-21(2)26(20)19-35-28-31-30-27(32(28)23-10-8-7-9-11-23)18-34-25-14-12-24(33-6)13-15-25/h7-17H,18-19H2,1-6H3