4-[8-(1H-benzimidazol-2-ylsulfinylmethyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid

Systemtic Name: 4-[8-(1H-benzimidazol-2-ylsulfinylmethyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid Openeye Name: 4-[8-(1H-benzimidazol-2-ylsulfinylmethyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid CAS Name: 4-[8-(1H-benzimidazol-2-ylsulfinylmethyl)-3-imidazo[1,2-a]pyridinyl]benzoic acid IUPAC Name: 4-[8-(1H-benzimidazol-2-ylsulfinylmethyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid Traditional Name: 4-[8-(1H-benzimidazol-2-ylsulfinylmethyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)S(=O)CC3=CC=CN4C3=NC=C4C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)S(=O)CC3=CC=CN4C3=NC=C4C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C22H16N4O3S/c27-21(28)15-9-7-14(8-10-15)19-12-23-20-16(4-3-11-26(19)20)13-30(29)22-24-17-5-1-2-6-18(17)25-22/h1-12H,13H2,(H,24,25)(H,27,28)