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

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-(3,4-dimethoxyphenyl)-5-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(=C(C=C3)OC)OC)C4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O2S/c1-19-15-22(29(3,4)5)16-20(2)24(19)18-35-28-31-30-27(21-11-9-8-10-12-21)32(28)23-13-14-25(33-6)26(17-23)34-7/h8-17H,18H2,1-7H3