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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-tert-butyl-5-chloranyl-pyrazole-4-carbaldehyde Openeye Name: 3-tert-butyl-5-chloro-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde CAS Name: 3-tert-butyl-5-chloro-1-(1,1-dioxo-3-thiolanyl)-4-pyrazolecarboxaldehyde IUPAC Name: 3-tert-butyl-5-chloro-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde Traditional Name: 3-tert-butyl-5-chloro-1-(1,1-diketothiolan-3-yl)pyrazole-4-carbaldehyde Formula: C12H17ClN2O3S MolecularWeight: 304.79298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2O3S/c1-12(2,3)10-9(6-16)11(13)15(14-10)8-4-5-19(17,18)7-8/h6,8H,4-5,7H2,1-3H3