2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CC3CCS(=O)(=O)C3

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C17H21N3O3S/c1-19(17(21)9-14-7-8-24(22,23)13-14)11-15-10-18-20(12-15)16-5-3-2-4-6-16/h2-6,10,12,14H,7-9,11,13H2,1H3/t14-/m1/s1