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

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-phenyl-1H-1,2,4-triazole Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NNC(=N2)C3=CC=CC=C3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NNC(=N2)C3=CC=CC=C3)C)C(C)(C)C

InChI

InChI=1S/C21H25N3S/c1-14-11-17(21(3,4)5)12-15(2)18(14)13-25-20-22-19(23-24-20)16-9-7-6-8-10-16/h6-12H,13H2,1-5H3,(H,22,23,24)