N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-2-methoxy-ethanamine

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-2-methoxy-ethanamine Openeye Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-2-methoxy-ethanamine CAS Name: N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-2-methoxyethanamine IUPAC Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine Traditional Name: [1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl-(2-methoxyethyl)amine Formula: C13H23N3O3S MolecularWeight: 301.40502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CNCCOC

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CNCCOC

InChI

InChI=1S/C13H23N3O3S/c1-10-13(8-14-5-6-19-3)11(2)16(15-10)12-4-7-20(17,18)9-12/h12,14H,4-9H2,1-3H3