N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]ethanamine

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]ethanamine Openeye Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]ethanamine CAS Name: N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]ethanamine IUPAC Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine Traditional Name: [1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl-ethyl-amine Formula: C12H21N3O2S MolecularWeight: 271.37904

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(N(N=C1C)C2CCS(=O)(=O)C2)C

Isomeric SMILES

CCNCC1=C(N(N=C1C)C2CCS(=O)(=O)C2)C

InChI

InChI=1S/C12H21N3O2S/c1-4-13-7-12-9(2)14-15(10(12)3)11-5-6-18(16,17)8-11/h11,13H,4-8H2,1-3H3