2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanyl-N-(1H-indol-6-yl)ethanamide

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanyl-N-(1H-indol-6-yl)ethanamide Openeye Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]sulfanyl]-N-(1H-indol-6-yl)acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]-N-(1H-indol-6-yl)acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]thio]-N-(1H-indol-6-yl)acetamide Formula: C23H16N4O3S MolecularWeight: 428.46314

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SCC(=O)NC4=CC5=C(C=C4)C=CN5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SCC(=O)NC4=CC5=C(C=C4)C=CN5

InChI

InChI=1S/C23H16N4O3S/c24-11-16-2-5-18(15-3-6-20-21(9-15)30-13-29-20)27-23(16)31-12-22(28)26-17-4-1-14-7-8-25-19(14)10-17/h1-10,25H,12-13H2,(H,26,28)