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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3-bromanylthiophen-2-yl)pyrazole-4-carbaldehyde Openeye Name: 3-(3-bromo-2-thienyl)-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde CAS Name: 3-(3-bromo-2-thiophenyl)-1-(1,1-dioxo-3-thiolanyl)-4-pyrazolecarboxaldehyde IUPAC Name: 3-(3-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde Traditional Name: 3-(3-bromo-2-thienyl)-1-(1,1-diketothiolan-3-yl)pyrazole-4-carbaldehyde Formula: C12H11BrN2O3S2 MolecularWeight: 375.26134

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C=C(C(=N2)C3=C(C=CS3)Br)C=O

Isomeric SMILES

C1CS(=O)(=O)CC1N2C=C(C(=N2)C3=C(C=CS3)Br)C=O

InChI

InChI=1S/C12H11BrN2O3S2/c13-10-1-3-19-12(10)11-8(6-16)5-15(14-11)9-2-4-20(17,18)7-9/h1,3,5-6,9H,2,4,7H2