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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-4-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)benzenesulfonamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-4-(4-fluorophenyl)-3-thiazol-5-yl-benzenesulfonamide CAS Name: 2-[(3-bromophenyl)methylthio]-4-(4-fluorophenyl)-3-(5-thiazolyl)benzenesulfonamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-4-(4-fluorophenyl)-3-(1,3-thiazol-5-yl)benzenesulfonamide Traditional Name: 2-[(3-bromobenzyl)thio]-4-(4-fluorophenyl)-3-thiazol-5-yl-benzenesulfonamide Formula: C22H16BrFN2O2S3 MolecularWeight: 535.472043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=C(C=CC(=C2C3=CN=CS3)C4=CC=C(C=C4)F)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=C(C=CC(=C2C3=CN=CS3)C4=CC=C(C=C4)F)S(=O)(=O)N

InChI

InChI=1S/C22H16BrFN2O2S3/c23-16-3-1-2-14(10-16)12-29-22-20(31(25,27)28)9-8-18(15-4-6-17(24)7-5-15)21(22)19-11-26-13-30-19/h1-11,13H,12H2,(H2,25,27,28)