N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-5-chloranyl-pentanamide

Systemtic Name: N-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-5-chloranyl-pentanamide Openeye Name: 5-chloro-N-[2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-yl]pentanamide CAS Name: 5-chloro-N-[2-(1,1-dioxo-3-thiolanyl)-5-methyl-3-pyrazolyl]pentanamide IUPAC Name: 5-chloro-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]pentanamide Traditional Name: 5-chloro-N-[2-(1,1-diketothiolan-3-yl)-5-methyl-pyrazol-3-yl]valeramide Formula: C13H20ClN3O3S MolecularWeight: 333.8342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CCCCCl)C2CCS(=O)(=O)C2

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CCCCCl)C2CCS(=O)(=O)C2

InChI

InChI=1S/C13H20ClN3O3S/c1-10-8-12(15-13(18)4-2-3-6-14)17(16-10)11-5-7-21(19,20)9-11/h8,11H,2-7,9H2,1H3,(H,15,18)