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

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]butan-1-amine Openeye Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]butan-1-amine CAS Name: N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-1-butanamine IUPAC Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]butan-1-amine Traditional Name: butyl-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]amine Formula: C14H25N3O2S MolecularWeight: 299.4322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(N(N=C1C)C2CCS(=O)(=O)C2)C

Isomeric SMILES

CCCCNCC1=C(N(N=C1C)C2CCS(=O)(=O)C2)C

InChI

InChI=1S/C14H25N3O2S/c1-4-5-7-15-9-14-11(2)16-17(12(14)3)13-6-8-20(18,19)10-13/h13,15H,4-10H2,1-3H3