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

Systemtic Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1-(4-methoxyphenyl)-1,2,3,4-tetrazole Openeye Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole CAS Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-1-(4-methoxyphenyl)tetrazole IUPAC Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-1-(4-methoxyphenyl)tetrazole Traditional Name: 5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1-(4-methoxyphenyl)tetrazole Formula: C21H26N4OS MolecularWeight: 382.52234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=NN2C3=CC=C(C=C3)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=NN2C3=CC=C(C=C3)OC)C)C(C)(C)C

InChI

InChI=1S/C21H26N4OS/c1-14-11-16(21(3,4)5)12-15(2)19(14)13-27-20-22-23-24-25(20)17-7-9-18(26-6)10-8-17/h7-12H,13H2,1-6H3