N-(1,3-benzothiazol-2-yl)-1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(1,1-dioxo-3-thiolanyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(1,1-diketothiolan-3-yl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C19H16N4O3S3 MolecularWeight: 444.55034

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=CC(=N2)C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CS5

Isomeric SMILES

C1CS(=O)(=O)CC1N2C(=CC(=N2)C(=O)NC3=NC4=CC=CC=C4S3)C5=CC=CS5

InChI

InChI=1S/C19H16N4O3S3/c24-18(21-19-20-13-4-1-2-5-16(13)28-19)14-10-15(17-6-3-8-27-17)23(22-14)12-7-9-29(25,26)11-12/h1-6,8,10,12H,7,9,11H2,(H,20,21,24)