N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-[(4-bromanylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-[(4-bromanylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-[(3S)-1,1-diketothiolan-3-yl]pyrazole-3-carboxamide Formula: C15H16BrN3O4S MolecularWeight: 414.27424

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C15H16BrN3O4S/c16-11-1-3-13(4-2-11)23-10-19-7-5-14(18-19)15(20)17-12-6-8-24(21,22)9-12/h1-5,7,12H,6,8-10H2,(H,17,20)/t12-/m0/s1