2-{[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Also Known As: IFLab1_005005|2-{[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid|2-((4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid|AB00673666-01|{[4-benzyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid|2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid|F1219-1691|([4-benzyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]thio)acetic acid|(4-Benzyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid|2-[5-(2-furyl)-4-benzyl-1,2,4-triazol-3-ylthio]acetic acid|{[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid|2-((4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)aceticacid|2-([4-Benzyl-5-(furan-2-yl)-4h-1,2,4-triazol-3-yl]sulfanyl)acetic acid|2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Molecular Formula	C15H13N3O3S
Molecular Weight	315.06775 g/mol
LogP	2.2
Topological Polar Surface Area	106.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	315.06775
Monoisotopic Mass	315.06775
Heavy Atoms	22
Complexity	379.0

Chemical Identifiers

CAS Number	537017-54-2
SMILES	C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)O)C3=CC=CO3
InChIKey	MLYSOGGVQZUNQF-UHFFFAOYSA-N