N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3-cyanopyridin-2-yl)sulfanyl-N-cyclopentyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3-cyanopyridin-2-yl)sulfanyl-N-cyclopentyl-ethanamide Openeye Name: 2-[(3-cyano-2-pyridyl)sulfanyl]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: 2-[(3-cyano-2-pyridinyl)thio]-N-cyclopentyl-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-(3-cyanopyridin-2-yl)sulfanyl-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-[(3-cyano-2-pyridyl)thio]-N-cyclopentyl-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CSC3=C(C=CC=N3)C#N

Isomeric SMILES

C1CCC(C1)N([C@H]2CCS(=O)(=O)C2)C(=O)CSC3=C(C=CC=N3)C#N

InChI

InChI=1S/C17H21N3O3S2/c18-10-13-4-3-8-19-17(13)24-11-16(21)20(14-5-1-2-6-14)15-7-9-25(22,23)12-15/h3-4,8,14-15H,1-2,5-7,9,11-12H2/t15-/m0/s1