4-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C)C3=CC=C(C=C3)N)C)C(C)(C)C

InChI

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