1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carbaldehyde

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carbaldehyde Openeye Name: 3-(2,5-dimethyl-3-furyl)-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde CAS Name: 3-(2,5-dimethyl-3-furanyl)-1-(1,1-dioxo-3-thiolanyl)-4-pyrazolecarboxaldehyde IUPAC Name: 3-(2,5-dimethylfuran-3-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde Traditional Name: 1-(1,1-diketothiolan-3-yl)-3-(2,5-dimethyl-3-furyl)pyrazole-4-carbaldehyde Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=NN(C=C2C=O)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC(=C(O1)C)C2=NN(C=C2C=O)C3CCS(=O)(=O)C3

InChI

InChI=1S/C14H16N2O4S/c1-9-5-13(10(2)20-9)14-11(7-17)6-16(15-14)12-3-4-21(18,19)8-12/h5-7,12H,3-4,8H2,1-2H3