1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(4-bromophenyl)-5-cyclopropyl-pyrazole-3-carboxamide

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(4-bromophenyl)-5-cyclopropyl-pyrazole-3-carboxamide Openeye Name: N-(4-bromophenyl)-5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide CAS Name: N-(4-bromophenyl)-5-cyclopropyl-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-bromophenyl)-5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide Traditional Name: N-(4-bromophenyl)-5-cyclopropyl-1-[(3S)-1,1-diketothiolan-3-yl]pyrazole-3-carboxamide Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=CC(=N2)C(=O)NC3=CC=C(C=C3)Br)C4CC4

InChI

InChI=1S/C17H18BrN3O3S/c18-12-3-5-13(6-4-12)19-17(22)15-9-16(11-1-2-11)21(20-15)14-7-8-25(23,24)10-14/h3-6,9,11,14H,1-2,7-8,10H2,(H,19,22)/t14-/m0/s1