4-[5-[(3-fluorophenyl)amino]-3-methyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid

Systemtic Name: 4-[5-[(3-fluorophenyl)amino]-3-methyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid Openeye Name: 4-[5-(3-fluoroanilino)-3-methyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid CAS Name: 4-[5-(3-fluoroanilino)-3-methyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid IUPAC Name: 4-[5-(3-fluoroanilino)-3-methyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid Traditional Name: 4-[5-(3-fluoroanilino)-3-methyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid Formula: C16H13FN3O2S+ MolecularWeight: 330.356723

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC(=N1)NC2=CC(=CC=C2)F)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C[N+]1=C(SC(=N1)NC2=CC(=CC=C2)F)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H12FN3O2S/c1-20-14(10-5-7-11(8-6-10)15(21)22)23-16(19-20)18-13-4-2-3-12(17)9-13/h2-9H,1H3,(H-,18,19,21,22)/p+1