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

Systemtic Name: 2-bromanyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-bromo-N-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-bromo-N-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-bromo-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-bromo-N-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C20H14BrN3OS2 MolecularWeight: 456.37866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN3OS2/c21-16-7-2-1-6-15(16)19(25)23-13-8-9-17-18(11-13)27-20(24-17)26-12-14-5-3-4-10-22-14/h1-11H,12H2,(H,23,25)