N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-fluoranyl-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-fluoro-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]-1,3-benzothiazol-6-yl]-4-fluorobenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-fluorobenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]-1,3-benzothiazol-6-yl]-4-fluoro-benzamide Formula: C22H14FN3OS2 MolecularWeight: 419.494463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C22H14FN3OS2/c23-17-7-5-14(6-8-17)21(27)25-18-9-10-19-20(11-18)29-22(26-19)28-13-16-4-2-1-3-15(16)12-24/h1-11H,13H2,(H,25,27)