3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzoic acid

Systemtic Name: 3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzoic acid Openeye Name: 3-[[2-(2-pyridylamino)thiazol-5-yl]methylamino]benzoic acid CAS Name: 3-[[2-(2-pyridinylamino)-5-thiazolyl]methylamino]benzoic acid IUPAC Name: 3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzoic acid Traditional Name: 3-[[2-(2-pyridylamino)thiazol-5-yl]methylamino]benzoic acid Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC2=NC=C(S2)CNC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)NC2=NC=C(S2)CNC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H14N4O2S/c21-15(22)11-4-3-5-12(8-11)18-9-13-10-19-16(23-13)20-14-6-1-2-7-17-14/h1-8,10,18H,9H2,(H,21,22)(H,17,19,20)