2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C28H19N3O2S MolecularWeight: 461.53436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

InChI

InChI=1S/C28H19N3O2S/c32-27(30-23-11-7-8-20(18-23)15-16-22-10-5-6-17-29-22)24-12-2-1-9-21(24)19-34-28-31-25-13-3-4-14-26(25)33-28/h1-14,17-18H,19H2,(H,30,32)