N-[3,5-bis(trifluoromethyl)phenyl]-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-[3,5-bis(trifluoromethyl)phenyl]benzofuran-2-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-[3,5-bis(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-[3,5-bis(trifluoromethyl)phenyl]coumarilamide Formula: C25H17F6NO2S MolecularWeight: 509.463399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H17F6NO2S/c26-24(27,28)16-10-17(25(29,30)31)12-18(11-16)32-23(33)22-20(19-8-4-5-9-21(19)34-22)14-35-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,32,33)