4-[5-(4-fluorophenyl)-2-(phenylmethylsulfanyl)-1,3-thiazol-4-yl]benzenesulfonamide

Systemtic Name: 4-[5-(4-fluorophenyl)-2-(phenylmethylsulfanyl)-1,3-thiazol-4-yl]benzenesulfonamide Openeye Name: 4-[2-benzylsulfanyl-5-(4-fluorophenyl)thiazol-4-yl]benzenesulfonamide CAS Name: 4-[5-(4-fluorophenyl)-2-(phenylmethylthio)-4-thiazolyl]benzenesulfonamide IUPAC Name: 4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide Traditional Name: 4-[2-(benzylthio)-5-(4-fluorophenyl)thiazol-4-yl]benzenesulfonamide Formula: C22H17FN2O2S3 MolecularWeight: 456.575983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17FN2O2S3/c23-18-10-6-17(7-11-18)21-20(16-8-12-19(13-9-16)30(24,26)27)25-22(29-21)28-14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,24,26,27)