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

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-2-ethoxy-ethanamine Openeye Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-2-ethoxy-ethanamine CAS Name: N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-2-ethoxyethanamine IUPAC Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-2-ethoxyethanamine Traditional Name: [1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl-(2-ethoxyethyl)amine Formula: C14H25N3O3S MolecularWeight: 315.4316

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNCC1=C(N(N=C1C)C2CCS(=O)(=O)C2)C

Isomeric SMILES

CCOCCNCC1=C(N(N=C1C)C2CCS(=O)(=O)C2)C

InChI

InChI=1S/C14H25N3O3S/c1-4-20-7-6-15-9-14-11(2)16-17(12(14)3)13-5-8-21(18,19)10-13/h13,15H,4-10H2,1-3H3