4-[2-[(6-chloranyl-1H-imidazo[4,5-b]pyridin-4-ium-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[(6-chloranyl-1H-imidazo[4,5-b]pyridin-4-ium-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-4-ium-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-4-ium-2-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-4-ium-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-chloro-1H-imidazo[4,5-b]pyridin-4-ium-2-yl)thio]acetyl]amino]benzoate Formula: C15H11ClN4O3S MolecularWeight: 362.79084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC2=NC3=[NH+]C=C(C=C3N2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=O)CSC2=NC3=[NH+]C=C(C=C3N2)Cl

InChI

InChI=1S/C15H11ClN4O3S/c16-9-5-11-13(17-6-9)20-15(19-11)24-7-12(21)18-10-3-1-8(2-4-10)14(22)23/h1-6H,7H2,(H,18,21)(H,22,23)(H,17,19,20)