1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-phenyl-pyrazole-4-carbaldehyde

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-phenyl-pyrazole-4-carbaldehyde Openeye Name: 1-(1,1-dioxothiolan-3-yl)-3-phenyl-pyrazole-4-carbaldehyde CAS Name: 1-(1,1-dioxo-3-thiolanyl)-3-phenyl-4-pyrazolecarboxaldehyde IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazole-4-carbaldehyde Traditional Name: 1-(1,1-diketothiolan-3-yl)-3-phenyl-pyrazole-4-carbaldehyde Formula: C14H14N2O3S MolecularWeight: 290.33756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C=C(C(=N2)C3=CC=CC=C3)C=O

Isomeric SMILES

C1CS(=O)(=O)CC1N2C=C(C(=N2)C3=CC=CC=C3)C=O

InChI

InChI=1S/C14H14N2O3S/c17-9-12-8-16(13-6-7-20(18,19)10-13)15-14(12)11-4-2-1-3-5-11/h1-5,8-9,13H,6-7,10H2