N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(4-methylsulfanylphenoxy)ethanamide

Systemtic Name: N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(4-methylsulfanylphenoxy)ethanamide Openeye Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-(4-methylsulfanylphenoxy)acetamide CAS Name: N-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2-[4-(methylthio)phenoxy]acetamide IUPAC Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-methylsulfanylphenoxy)acetamide Traditional Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-[4-(methylthio)phenoxy]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)COC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)COC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H23N3O2S/c1-15-21(16(2)24(23-15)13-17-7-5-4-6-8-17)22-20(25)14-26-18-9-11-19(27-3)12-10-18/h4-12H,13-14H2,1-3H3,(H,22,25)