2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N-(3-chlorophenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N-(3-chlorophenyl)ethanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]-N-(3-chlorophenyl)acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridinyl]thio]-N-(3-chlorophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridyl]thio]-N-(3-chlorophenyl)acetamide Formula: C27H18ClN3O3S MolecularWeight: 499.96812

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)SCC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)SCC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H18ClN3O3S/c28-19-7-4-8-20(12-19)30-26(32)15-35-27-22(14-29)21(13-23(31-27)17-5-2-1-3-6-17)18-9-10-24-25(11-18)34-16-33-24/h1-13H,15-16H2,(H,30,32)