2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-N-(phenylmethyl)-1,3-benzoxazole-5-carboxamide

Systemtic Name: 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-N-(phenylmethyl)-1,3-benzoxazole-5-carboxamide Openeye Name: N-benzyl-2-(4,4-difluorobut-3-enylsulfanyl)-1,3-benzoxazole-5-carboxamide CAS Name: 2-(4,4-difluorobut-3-enylthio)-N-(phenylmethyl)-1,3-benzoxazole-5-carboxamide IUPAC Name: N-benzyl-2-(4,4-difluorobut-3-enylsulfanyl)-1,3-benzoxazole-5-carboxamide Traditional Name: N-benzyl-2-(4,4-difluorobut-3-enylthio)-1,3-benzoxazole-5-carboxamide Formula: C19H16F2N2O2S MolecularWeight: 374.404346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)OC(=N3)SCCC=C(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)OC(=N3)SCCC=C(F)F

InChI

InChI=1S/C19H16F2N2O2S/c20-17(21)7-4-10-26-19-23-15-11-14(8-9-16(15)25-19)18(24)22-12-13-5-2-1-3-6-13/h1-3,5-9,11H,4,10,12H2,(H,22,24)