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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-3-phenyl-pyrazole-4-carbaldehyde Openeye Name: 5-chloro-1-(1,1-dioxothiolan-3-yl)-3-phenyl-pyrazole-4-carbaldehyde CAS Name: 5-chloro-1-(1,1-dioxo-3-thiolanyl)-3-phenyl-4-pyrazolecarboxaldehyde IUPAC Name: 5-chloro-1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazole-4-carbaldehyde Traditional Name: 5-chloro-1-(1,1-diketothiolan-3-yl)-3-phenyl-pyrazole-4-carbaldehyde Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O3S/c15-14-12(8-18)13(10-4-2-1-3-5-10)16-17(14)11-6-7-21(19,20)9-11/h1-5,8,11H,6-7,9H2