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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C21H16N4O2S3/c1-14-7-5-10-17-19(14)22-21(29-17)24-30(26,27)18-13-25(15-8-3-2-4-9-15)23-20(18)16-11-6-12-28-16/h2-13H,1H3,(H,22,24)