3-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methylamino]propanamide

Systemtic Name: 3-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methylamino]propanamide Openeye Name: 3-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methylamino]propanamide CAS Name: 3-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methylamino]propanamide IUPAC Name: 3-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methylamino]propanamide Traditional Name: 3-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methylamino]propionamide Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CNCCC(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CNCCC(=O)N

InChI

InChI=1S/C13H22N4O3S/c1-9-12(7-15-5-3-13(14)18)10(2)17(16-9)11-4-6-21(19,20)8-11/h11,15H,3-8H2,1-2H3,(H2,14,18)