2-[[5-[[2-[(4-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[[2-[(4-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[[2-(4-fluoroanilino)thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[[2-(4-fluoroanilino)-4-thiazolyl]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[[2-(4-fluoroanilino)thiazol-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H14FN5O2S2 MolecularWeight: 379.432363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)CC2=CSC(=N2)NC3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)CC2=CSC(=N2)NC3=CC=C(C=C3)F

InChI

InChI=1S/C15H14FN5O2S2/c1-21-12(19-20-15(21)25-8-13(22)23)6-11-7-24-14(18-11)17-10-4-2-9(16)3-5-10/h2-5,7H,6,8H2,1H3,(H,17,18)(H,22,23)