5-[(2-methylsulfanylphenoxy)methyl]-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(2-methylsulfanylphenoxy)methyl]-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]isoxazole-3-carboxamide CAS Name: 5-[[2-(methylthio)phenoxy]methyl]-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-5-[[2-(methylthio)phenoxy]methyl]isoxazole-3-carboxamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCC3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S/c1-31-22-10-6-5-9-21(22)29-16-19-11-20(26-30-19)23(28)24-12-18-13-25-27(15-18)14-17-7-3-2-4-8-17/h2-11,13,15H,12,14,16H2,1H3,(H,24,28)