N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-2-cyano-3-phenyl-prop-2-enamide

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-2-cyano-3-phenyl-prop-2-enamide Openeye Name: 2-cyano-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3-phenyl-prop-2-enamide CAS Name: 2-cyano-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-3-phenyl-2-propenamide IUPAC Name: 2-cyano-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3-phenylprop-2-enamide Traditional Name: 2-cyano-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-3-phenyl-acrylamide Formula: C18H11F2N3OS2 MolecularWeight: 387.426246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)SC(F)F

Isomeric SMILES

C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)SC(F)F

InChI

InChI=1S/C18H11F2N3OS2/c19-17(20)25-13-6-7-14-15(9-13)26-18(22-14)23-16(24)12(10-21)8-11-4-2-1-3-5-11/h1-9,17H,(H,22,23,24)