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

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(p-tolyl)-1,2,4-triazol-4-yl]amine Formula: C22H28N4S MolecularWeight: 380.54952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(C=C(C=C3C)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(C=C(C=C3C)C(C)(C)C)C

InChI

InChI=1S/C22H28N4S/c1-14-7-9-17(10-8-14)20-24-25-21(26(20)23)27-13-19-15(2)11-18(12-16(19)3)22(4,5)6/h7-12H,13,23H2,1-6H3