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

Systemtic Name: 3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylsulfanyl]benzoic acid Openeye Name: 3-[[2-(2-pyridylamino)thiazol-5-yl]methylsulfanyl]benzoic acid CAS Name: 3-[[2-(2-pyridinylamino)-5-thiazolyl]methylthio]benzoic acid IUPAC Name: 3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylsulfanyl]benzoic acid Traditional Name: 3-[[2-(2-pyridylamino)thiazol-5-yl]methylthio]benzoic acid Formula: C16H13N3O2S2 MolecularWeight: 343.42332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC2=NC=C(S2)CSC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)NC2=NC=C(S2)CSC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H13N3O2S2/c20-15(21)11-4-3-5-12(8-11)22-10-13-9-18-16(23-13)19-14-6-1-2-7-17-14/h1-9H,10H2,(H,20,21)(H,17,18,19)