5-(7-butan-2-ylimidazo[4,5-b]pyridin-3-yl)-4-methyl-1,3-benzodithiole-2-carboxylic acid

Systemtic Name: 5-(7-butan-2-ylimidazo[4,5-b]pyridin-3-yl)-4-methyl-1,3-benzodithiole-2-carboxylic acid Openeye Name: 4-methyl-5-(7-sec-butylimidazo[4,5-b]pyridin-3-yl)-1,3-benzodithiole-2-carboxylic acid CAS Name: 5-(7-butan-2-yl-3-imidazo[4,5-b]pyridinyl)-4-methyl-1,3-benzodithiole-2-carboxylic acid IUPAC Name: 5-(7-butan-2-ylimidazo[4,5-b]pyridin-3-yl)-4-methyl-1,3-benzodithiole-2-carboxylic acid Traditional Name: 4-methyl-5-(7-sec-butylimidazo[4,5-b]pyridin-3-yl)-1,3-benzodithiole-2-carboxylic acid Formula: C19H19N3O2S2 MolecularWeight: 385.50306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C2C(=NC=C1)N(C=N2)C3=C(C4=C(C=C3)SC(S4)C(=O)O)C

Isomeric SMILES

CCC(C)C1=C2C(=NC=C1)N(C=N2)C3=C(C4=C(C=C3)SC(S4)C(=O)O)C

InChI

InChI=1S/C19H19N3O2S2/c1-4-10(2)12-7-8-20-17-15(12)21-9-22(17)13-5-6-14-16(11(13)3)26-19(25-14)18(23)24/h5-10,19H,4H2,1-3H3,(H,23,24)