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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridinyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridyl]thio]-N-(4-nitrophenyl)acetamide Formula: C27H18N4O5S MolecularWeight: 510.52062

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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=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H18N4O5S/c28-14-22-21(18-6-11-24-25(12-18)36-16-35-24)13-23(17-4-2-1-3-5-17)30-27(22)37-15-26(32)29-19-7-9-20(10-8-19)31(33)34/h1-13H,15-16H2,(H,29,32)