2,3-dimethyl-7-(phenylmethylsulfanyl)imidazo[4,5-b]pyridine-6-carboxylic acid

Systemtic Name: 2,3-dimethyl-7-(phenylmethylsulfanyl)imidazo[4,5-b]pyridine-6-carboxylic acid Openeye Name: 7-benzylsulfanyl-2,3-dimethyl-imidazo[4,5-b]pyridine-6-carboxylic acid CAS Name: 2,3-dimethyl-7-(phenylmethylthio)-6-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 7-benzylsulfanyl-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylic acid Traditional Name: 7-(benzylthio)-2,3-dimethyl-imidazo[4,5-b]pyridine-6-carboxylic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CN=C2N1C)C(=O)O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(C(=CN=C2N1C)C(=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S/c1-10-18-13-14(22-9-11-6-4-3-5-7-11)12(16(20)21)8-17-15(13)19(10)2/h3-8H,9H2,1-2H3,(H,20,21)