2-[2-(hydroxymethyl)-4-methylsulfanyl-phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[2-(hydroxymethyl)-4-methylsulfanyl-phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[2-(hydroxymethyl)-4-methylsulfanyl-phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[2-(hydroxymethyl)-4-(methylthio)phenoxy]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[2-(hydroxymethyl)-4-methylsulfanylphenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[2-methylol-4-(methylthio)phenoxy]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)COC2=C(C=C(C=C2)SC)CO

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)COC2=C(C=C(C=C2)SC)CO

InChI

InChI=1S/C16H21N3O3S/c1-10-16(11(2)19(3)18-10)17-15(21)9-22-14-6-5-13(23-4)7-12(14)8-20/h5-7,20H,8-9H2,1-4H3,(H,17,21)