2-[4-[(2-ethylsulfanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-ethylsulfanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-ethylsulfanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-(ethylthio)-7-methyl-3-imidazo[4,5-b]pyridinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-ethylsulfanyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-(ethylthio)-7-methyl-imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]benzoic acid Formula: C23H21N3O2S MolecularWeight: 403.49674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=CN=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C

Isomeric SMILES

CCSC1=NC2=C(C=CN=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C

InChI

InChI=1S/C23H21N3O2S/c1-3-29-23-25-20-15(2)12-13-24-21(20)26(23)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)22(27)28/h4-13H,3,14H2,1-2H3,(H,27,28)