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

Systemtic Name: N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide Openeye Name: N-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide CAS Name: N-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]methanesulfonamide IUPAC Name: N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide Traditional Name: N-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]methanesulfonamide Formula: C14H13N3O2S3 MolecularWeight: 351.46692

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=CC=N3

InChI

InChI=1S/C14H13N3O2S3/c1-22(18,19)17-10-5-6-12-13(8-10)21-14(16-12)20-9-11-4-2-3-7-15-11/h2-8,17H,9H2,1H3