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

Systemtic Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1H-1,2,4-triazole Formula: C15H21N3S MolecularWeight: 275.41234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC=NN2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC=NN2)C)C(C)(C)C

InChI

InChI=1S/C15H21N3S/c1-10-6-12(15(3,4)5)7-11(2)13(10)8-19-14-16-9-17-18-14/h6-7,9H,8H2,1-5H3,(H,16,17,18)