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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-[(4-bromanylpyrazol-1-yl)methyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(3S)-1,1-dioxo-3-thiolanyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3S)-1,1-diketothiolan-3-yl]benzamide Formula: C15H16BrN3O3S MolecularWeight: 398.27484

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C15H16BrN3O3S/c16-13-7-17-19(9-13)8-11-1-3-12(4-2-11)15(20)18-14-5-6-23(21,22)10-14/h1-4,7,9,14H,5-6,8,10H2,(H,18,20)/t14-/m0/s1