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

Systemtic Name: 4-methyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzenesulfonamide CAS Name: 4-methyl-N-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]benzenesulfonamide Formula: C20H17N3O2S3 MolecularWeight: 427.56288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=N4

InChI

InChI=1S/C20H17N3O2S3/c1-14-5-8-17(9-6-14)28(24,25)23-15-7-10-18-19(12-15)27-20(22-18)26-13-16-4-2-3-11-21-16/h2-12,23H,13H2,1H3