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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclopropyl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1-[(3S)-1,1-diketothiolan-3-yl]pyrazole-3-carboxamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=CC(=N2)C(=O)NC3=CC4=C(C=C3)OCO4)C5CC5

InChI

InChI=1S/C18H19N3O5S/c22-18(19-12-3-4-16-17(7-12)26-10-25-16)14-8-15(11-1-2-11)21(20-14)13-5-6-27(23,24)9-13/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H,19,22)/t13-/m0/s1