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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4-chloranyl-phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]-4-cyano-2-fluoro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-4-cyano-2-fluorobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]-4-cyano-2-fluoro-benzamide Formula: C21H11ClFN3OS MolecularWeight: 407.847943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H11ClFN3OS/c22-16-8-6-13(25-20(27)14-7-5-12(11-24)9-17(14)23)10-15(16)21-26-18-3-1-2-4-19(18)28-21/h1-10H,(H,25,27)