2-[5-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[5-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[[5-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[5-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[[5-(1H-benzimidazol-2-yl)-2-pyridyl]thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=C(C=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC=C(C=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H16N4O3S/c26-19(23-14-6-7-17-18(9-14)28-12-27-17)11-29-20-8-5-13(10-22-20)21-24-15-3-1-2-4-16(15)25-21/h1-10H,11-12H2,(H,23,26)(H,24,25)