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

Systemtic Name: 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[[(3S)-1,1-dioxo-3-thiolanyl]thio]-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[[(3S)-1,1-diketothiolan-3-yl]thio]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CSC3CCS(=O)(=O)C3

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S2/c1-19(17(21)12-24-16-7-8-25(22,23)13-16)10-14-9-18-20(11-14)15-5-3-2-4-6-15/h2-6,9,11,16H,7-8,10,12-13H2,1H3/t16-/m0/s1