Catalog Number:
AG019KBZ
Chemical Name:
2-{[4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
CAS Number:
923770-48-3
Molecular Formula:
C12H13N3O2S
Molecular Weight:
263.3155
MDL Number:
MFCD08691297
IUPAC Name:
2-[[4-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
InChI:
InChI=1S/C12H13N3O2S/c1-8-3-4-10(5-9(8)2)15-7-13-14-12(15)18-6-11(16)17/h3-5,7H,6H2,1-2H3,(H,16,17)
InChI Key:
TWBVSMCHVMTEOI-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nncn1c1ccc(c(c1)C)C
