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

Systemtic Name: N-[2-[(3-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-benzamide Openeye Name: N-[2-[(3-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-benzamide CAS Name: N-[2-[(3-fluorophenyl)methylthio]-1,3-benzothiazol-6-yl]-4-nitrobenzamide IUPAC Name: N-[2-[(3-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitrobenzamide Traditional Name: N-[2-[(3-fluorobenzyl)thio]-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C21H14FN3O3S2 MolecularWeight: 439.482563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)F)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14FN3O3S2/c22-15-3-1-2-13(10-15)12-29-21-24-18-9-6-16(11-19(18)30-21)23-20(26)14-4-7-17(8-5-14)25(27)28/h1-11H,12H2,(H,23,26)