N-[2-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluoranyl-benzamide Openeye Name: N-[2-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluoro-benzamide CAS Name: N-[2-[(2-chloro-6-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]-2-fluorobenzamide IUPAC Name: N-[2-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-fluorobenzamide Traditional Name: N-[2-[(2-chloro-6-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]-2-fluoro-benzamide Formula: C21H13ClFN3O3S2 MolecularWeight: 473.927623

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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=C(C=CC=C4Cl)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=C(C=CC=C4Cl)[N+](=O)[O-])F

InChI

InChI=1S/C21H13ClFN3O3S2/c22-15-5-3-7-18(26(28)29)14(15)11-30-21-25-17-9-8-12(10-19(17)31-21)24-20(27)13-4-1-2-6-16(13)23/h1-10H,11H2,(H,24,27)