3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(2-methoxyphenyl)-1,2,4-triazol-4-yl]amine Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2N)C3=CC=CC=C3OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2N)C3=CC=CC=C3OC)C)C(C)(C)C

InChI

InChI=1S/C22H28N4OS/c1-14-11-16(22(3,4)5)12-15(2)18(14)13-28-21-25-24-20(26(21)23)17-9-7-8-10-19(17)27-6/h7-12H,13,23H2,1-6H3