N-(1H-benzimidazol-2-ylmethyl)-1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazole-3-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-1-(1,1-dioxothiolan-3-yl)-5-phenyl-pyrazole-3-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-1-(1,1-dioxo-3-thiolanyl)-5-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-1-(1,1-dioxothiolan-3-yl)-5-phenylpyrazole-3-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-1-(1,1-diketothiolan-3-yl)-5-phenyl-pyrazole-3-carboxamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=CC(=N2)C(=O)NCC3=NC4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

C1CS(=O)(=O)CC1N2C(=CC(=N2)C(=O)NCC3=NC4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5O3S/c28-22(23-13-21-24-17-8-4-5-9-18(17)25-21)19-12-20(15-6-2-1-3-7-15)27(26-19)16-10-11-31(29,30)14-16/h1-9,12,16H,10-11,13-14H2,(H,23,28)(H,24,25)