N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]-4-cyano-2-fluoro-benzamide Formula: C21H11FIN3OS MolecularWeight: 499.299413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)I)NC(=O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C21H11FIN3OS/c22-16-9-12(11-24)5-7-14(16)20(27)25-17-8-6-13(23)10-15(17)21-26-18-3-1-2-4-19(18)28-21/h1-10H,(H,25,27)