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

Systemtic Name: 2-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-pyridyl)acetamide CAS Name: 2-[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]-N-pyridin-3-ylacetamide Traditional Name: 2-[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-pyridyl)acetamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CC(=O)NC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C16H20N4O3S/c1-11-15(8-16(21)18-13-4-3-6-17-9-13)12(2)20(19-11)14-5-7-24(22,23)10-14/h3-4,6,9,14H,5,7-8,10H2,1-2H3,(H,18,21)