AC1OAJGX

4-[(E)-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid

Also Known As: (E)-4-(((3-(4-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid|4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOIC ACID|4-(((3-(4-Fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)benzoic acid|4-[[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic Acid|4-{(1E)-2-[5-(4-fluorophenyl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl}benzo ic acid|4-[(E)-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid|4-[(E)-{[3-(4-fluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid

Molecular Formula	C16H11FN4O2S
Molecular Weight	342.0587 g/mol
LogP	3.32719
Topological Polar Surface Area	83.27 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	342.0587
Monoisotopic Mass	342.0587
Heavy Atoms	24
Complexity	958.99255

Chemical Identifiers

CAS Number	577997-10-5
SMILES	C1=CC(=CC=C1/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F)C(=O)O