N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(4-bromanylpyrazol-1-yl)propanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3-(4-bromanylpyrazol-1-yl)propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-N-[(3S)-1,1-diketothiolan-3-yl]propionamide Formula: C10H14BrN3O3S MolecularWeight: 336.20546

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)CCN2C=C(C=N2)Br

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)CCN2C=C(C=N2)Br

InChI

InChI=1S/C10H14BrN3O3S/c11-8-5-12-14(6-8)3-1-10(15)13-9-2-4-18(16,17)7-9/h5-6,9H,1-4,7H2,(H,13,15)/t9-/m0/s1