N-(1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-benzyl-3-(2-thienyl)pyrazole-4-sulfonamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolesulfonamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-sulfonamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-benzyl-3-(2-thienyl)pyrazole-4-sulfonamide Formula: C21H16N4O2S3 MolecularWeight: 452.57234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)S(=O)(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)S(=O)(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H16N4O2S3/c26-30(27,24-21-22-16-9-4-5-10-17(16)29-21)19-14-25(13-15-7-2-1-3-8-15)23-20(19)18-11-6-12-28-18/h1-12,14H,13H2,(H,22,24)