N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-methylsulfanylphenoxy)methyl]isoxazole-3-carboxamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[[2-(methylthio)phenoxy]methyl]isoxazole-3-carboxamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=NOC(=C2)COC3=CC=CC=C3SC)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=NOC(=C2)COC3=CC=CC=C3SC)C

InChI

InChI=1S/C20H24N4O3S/c1-14-11-15(2)24(22-14)10-6-9-21-20(25)17-12-16(27-23-17)13-26-18-7-4-5-8-19(18)28-3/h4-5,7-8,11-12H,6,9-10,13H2,1-3H3,(H,21,25)