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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-tert-butyl-pyrazole-4-carbaldehyde Openeye Name: 3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde CAS Name: 3-tert-butyl-1-(1,1-dioxo-3-thiolanyl)-4-pyrazolecarboxaldehyde IUPAC Name: 3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde Traditional Name: 3-tert-butyl-1-(1,1-diketothiolan-3-yl)pyrazole-4-carbaldehyde Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1C=O)C2CCS(=O)(=O)C2

Isomeric SMILES

CC(C)(C)C1=NN(C=C1C=O)C2CCS(=O)(=O)C2

InChI

InChI=1S/C12H18N2O3S/c1-12(2,3)11-9(7-15)6-14(13-11)10-4-5-18(16,17)8-10/h6-7,10H,4-5,8H2,1-3H3