N-[2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethyl]oxan-2-amine

Systemtic Name: N-[2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethyl]oxan-2-amine Openeye Name: N-[2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]ethyl]tetrahydropyran-2-amine CAS Name: N-[2-[(3E)-6-fluoro-2-methyl-3-[[4-(methylthio)phenyl]methylidene]-1-indenyl]ethyl]-2-oxanamine IUPAC Name: N-[2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethyl]oxan-2-amine Traditional Name: 2-[(3E)-6-fluoro-2-methyl-3-[4-(methylthio)benzylidene]inden-1-yl]ethyl-tetrahydropyran-2-yl-amine Formula: C25H28FNOS MolecularWeight: 409.559323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)F)CCNC4CCCCO4

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)SC)C=CC(=C2)F)CCNC4CCCCO4

InChI

InChI=1S/C25H28FNOS/c1-17-21(12-13-27-25-5-3-4-14-28-25)24-16-19(26)8-11-22(24)23(17)15-18-6-9-20(29-2)10-7-18/h6-11,15-16,25,27H,3-5,12-14H2,1-2H3/b23-15+