5-[(2-methylsulfanylphenoxy)methyl]-N-(1-phenylcyclopropyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(2-methylsulfanylphenoxy)methyl]-N-(1-phenylcyclopropyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[(2-methylsulfanylphenoxy)methyl]-N-(1-phenylcyclopropyl)isoxazole-3-carboxamide CAS Name: 5-[[2-(methylthio)phenoxy]methyl]-N-(1-phenylcyclopropyl)-3-isoxazolecarboxamide IUPAC Name: 5-[(2-methylsulfanylphenoxy)methyl]-N-(1-phenylcyclopropyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[[2-(methylthio)phenoxy]methyl]-N-(1-phenylcyclopropyl)isoxazole-3-carboxamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NC3(CC3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NC3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3S/c1-27-19-10-6-5-9-18(19)25-14-16-13-17(23-26-16)20(24)22-21(11-12-21)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,22,24)