N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzenesulfonamide

Systemtic Name: N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzenesulfonamide Openeye Name: N-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzenesulfonamide CAS Name: N-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]benzenesulfonamide IUPAC Name: N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzenesulfonamide Traditional Name: N-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]benzenesulfonamide Formula: C19H15N3O2S3 MolecularWeight: 413.5363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=N4

InChI

InChI=1S/C19H15N3O2S3/c23-27(24,16-7-2-1-3-8-16)22-14-9-10-17-18(12-14)26-19(21-17)25-13-15-6-4-5-11-20-15/h1-12,22H,13H2