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

Systemtic Name: 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-[(3S)-1,1-diketothiolan-3-yl]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C17H21N3O4S/c1-12-16(18-15(21)10-13-8-9-25(23,24)11-13)17(22)20(19(12)2)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3,(H,18,21)/t13-/m1/s1