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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-dioxo-3-thiolanyl]-5-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-5-phenylpyrazole-3-carboxamide Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-phenyl-N-piperonyl-pyrazole-3-carboxamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=CC(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=CC(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N3O5S/c26-22(23-12-15-6-7-20-21(10-15)30-14-29-20)18-11-19(16-4-2-1-3-5-16)25(24-18)17-8-9-31(27,28)13-17/h1-7,10-11,17H,8-9,12-14H2,(H,23,26)/t17-/m0/s1