Catalog Number:
AG019KBW
Chemical Name:
2-({4-[4-(propan-2-yl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
CAS Number:
923804-50-6
Molecular Formula:
C13H15N3O2S
Molecular Weight:
277.3421
MDL Number:
MFCD08691292
IUPAC Name:
2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
InChI:
InChI=1S/C13H15N3O2S/c1-9(2)10-3-5-11(6-4-10)16-8-14-15-13(16)19-7-12(17)18/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChI Key:
KGWGJFNUSXAZBX-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1nncn1c1ccc(cc1)C(C)C
