2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]ethanamide Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]acetamide Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O4S/c1-30-22-11-9-18(14-21(22)26(28)29)15-31-16-23(27)25-20-7-4-5-17(13-20)8-10-19-6-2-3-12-24-19/h2-7,9,11-14H,15-16H2,1H3,(H,25,27)