N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-(1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC3CCS(=O)(=O)C3

InChI

InChI=1S/C17H21N3O3S/c1-12-16(10-17(21)18-14-8-9-24(22,23)11-14)13(2)20(19-12)15-6-4-3-5-7-15/h3-7,14H,8-11H2,1-2H3,(H,18,21)