AC1LUAZR

4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-2-chlorobenzoic acid

Also Known As: 4-{5-[(Z)-2-Carboxy-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-vinyl]-furan-2-yl}-2-chloro-benzoic acid|(2Z)-3-[5-(4-carboxy-3-chlorophenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate|(Z)-4-(5-(2-carboxy-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)vinyl)furan-2-yl)-2-chlorobenzoic acid|2-chloranyl-4-[5-[(Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanyl-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid|2-chloro-4-[5-[(Z)-3-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-oxoprop-1-enyl]furan-2-yl]benzoic acid|4-(5-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}furan-2-yl)-2-chlorobenzoic acid|4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]furan-2-yl]-2-chlorobenzoic acid|4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethenyl]-2-furanyl]-2-chlorobenzoic acid|4-[5-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]vinyl]-2-furyl]-2-chloro-benzoic acid

Molecular Formula	C17H12ClN3O5S
Molecular Weight	405.01862 g/mol
LogP	3.94252
Topological Polar Surface Area	129.31 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	405.01862
Monoisotopic Mass	405.01862
Heavy Atoms	27
Complexity	1056.5286

Chemical Identifiers

CAS Number	577765-60-7
SMILES	CC1=NC(=NN1)S/C(=C\C2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)/C(=O)O