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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanyl-N-[(2-chlorophenyl)methyl]ethanamide Openeye Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]-N-[(2-chlorophenyl)methyl]acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-[(2-chlorophenyl)methyl]acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]thio]-N-(2-chlorobenzyl)acetamide Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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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)NCC4=CC=CC=C4Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SCC(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClN3O3S/c23-17-4-2-1-3-16(17)11-25-21(27)12-30-22-15(10-24)5-7-18(26-22)14-6-8-19-20(9-14)29-13-28-19/h1-9H,11-13H2,(H,25,27)