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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(5-chloranylthiophen-2-yl)pyrazole-4-carbaldehyde Openeye Name: 3-(5-chloro-2-thienyl)-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde CAS Name: 3-(5-chloro-2-thiophenyl)-1-(1,1-dioxo-3-thiolanyl)-4-pyrazolecarboxaldehyde IUPAC Name: 3-(5-chlorothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde Traditional Name: 3-(5-chloro-2-thienyl)-1-(1,1-diketothiolan-3-yl)pyrazole-4-carbaldehyde Formula: C12H11ClN2O3S2 MolecularWeight: 330.81034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C=C(C(=N2)C3=CC=C(S3)Cl)C=O

Isomeric SMILES

C1CS(=O)(=O)CC1N2C=C(C(=N2)C3=CC=C(S3)Cl)C=O

InChI

InChI=1S/C12H11ClN2O3S2/c13-11-2-1-10(19-11)12-8(6-16)5-15(14-12)9-3-4-20(17,18)7-9/h1-2,5-6,9H,3-4,7H2