4-[[[4-fluoranyl-3-(trifluoromethyl)phenyl]methylamino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[4-fluoranyl-3-(trifluoromethyl)phenyl]methylamino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[4-fluoro-3-(trifluoromethyl)benzyl]amino]-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C15H11F4NOS MolecularWeight: 329.312553

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C(NCC2=CC(=C(C=C2)F)C(F)(F)F)S

Isomeric SMILES

C1=CC(=O)C=CC1=C(NCC2=CC(=C(C=C2)F)C(F)(F)F)S

InChI

InChI=1S/C15H11F4NOS/c16-13-6-1-9(7-12(13)15(17,18)19)8-20-14(22)10-2-4-11(21)5-3-10/h1-7,20,22H,8H2