Catalog Number:
AG002S0D
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-4-[4-(1-methylethyl)phenyl]-
CAS Number:
261761-26-6
Molecular Formula:
C21H25N3S
Molecular Weight:
351.5083
MDL Number:
MFCD00207958
IUPAC Name:
3-(4-tert-butylphenyl)-4-(4-propan-2-ylphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C21H25N3S/c1-14(2)15-8-12-18(13-9-15)24-19(22-23-20(24)25)16-6-10-17(11-7-16)21(3,4)5/h6-14H,1-5H3,(H,23,25)
InChI Key:
BTYGCLSOJGJMDF-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)n1c(=S)[nH]nc1c1ccc(cc1)C(C)(C)C)C
