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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(3-bromophenyl)pyrazole-4-carbaldehyde Openeye Name: 3-(3-bromophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde CAS Name: 3-(3-bromophenyl)-1-(1,1-dioxo-3-thiolanyl)-4-pyrazolecarboxaldehyde IUPAC Name: 3-(3-bromophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde Traditional Name: 3-(3-bromophenyl)-1-(1,1-diketothiolan-3-yl)pyrazole-4-carbaldehyde Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O3S/c15-12-3-1-2-10(6-12)14-11(8-18)7-17(16-14)13-4-5-21(19,20)9-13/h1-3,6-8,13H,4-5,9H2