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

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Formula: C29H33N3S MolecularWeight: 455.65742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=C(C=C(C=C3C)C(C)(C)C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=C(C=C(C=C3C)C(C)(C)C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C29H33N3S/c1-19-13-14-25(17-20(19)2)32-27(23-11-9-8-10-12-23)30-31-28(32)33-18-26-21(3)15-24(16-22(26)4)29(5,6)7/h8-17H,18H2,1-7H3