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

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]butan-2-amine Openeye Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]butan-2-amine CAS Name: N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-2-butanamine IUPAC Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]butan-2-amine Traditional Name: [1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl-sec-butyl-amine Formula: C14H25N3O2S MolecularWeight: 299.4322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=C(N(N=C1C)C2CCS(=O)(=O)C2)C

Isomeric SMILES

CCC(C)NCC1=C(N(N=C1C)C2CCS(=O)(=O)C2)C

InChI

InChI=1S/C14H25N3O2S/c1-5-10(2)15-8-14-11(3)16-17(12(14)4)13-6-7-20(18,19)9-13/h10,13,15H,5-9H2,1-4H3