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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-pyridin-3-yl-pyrazole-4-carbaldehyde Openeye Name: 1-(1,1-dioxothiolan-3-yl)-3-(3-pyridyl)pyrazole-4-carbaldehyde CAS Name: 1-(1,1-dioxo-3-thiolanyl)-3-(3-pyridinyl)-4-pyrazolecarboxaldehyde IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-3-pyridin-3-ylpyrazole-4-carbaldehyde Traditional Name: 1-(1,1-diketothiolan-3-yl)-3-(3-pyridyl)pyrazole-4-carbaldehyde Formula: C13H13N3O3S MolecularWeight: 291.32562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3S/c17-8-11-7-16(12-3-5-20(18,19)9-12)15-13(11)10-2-1-4-14-6-10/h1-2,4,6-8,12H,3,5,9H2