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

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(3-chlorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(3-chlorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(3-chlorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(3-chlorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(3-chlorophenyl)-1,2,4-triazol-4-yl]amine Formula: C21H25ClN4S MolecularWeight: 400.968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4S/c1-13-9-16(21(3,4)5)10-14(2)18(13)12-27-20-25-24-19(26(20)23)15-7-6-8-17(22)11-15/h6-11H,12,23H2,1-5H3