N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide

Systemtic Name: N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide Openeye Name: N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide CAS Name: N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-2-methylsulfonylbenzamide IUPAC Name: N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-2-methylsulfonylbenzamide Traditional Name: N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-2-mesyl-benzamide Formula: C17H14F2N2O3S3 MolecularWeight: 428.496466

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(F)F

InChI

InChI=1S/C17H14F2N2O3S3/c1-27(23,24)14-5-3-2-4-11(14)16(22)20-10-6-7-12-13(8-10)26-17(21-12)25-9-15(18)19/h2-8,15H,9H2,1H3,(H,20,22)