3-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]propanenitrile

Systemtic Name: 3-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]propanenitrile Openeye Name: 3-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]propanenitrile CAS Name: 3-[(3E)-6-fluoro-2-methyl-3-[[4-(methylthio)phenyl]methylidene]-1-indenyl]propanenitrile IUPAC Name: 3-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]propanenitrile Traditional Name: 3-[(3E)-6-fluoro-2-methyl-3-[4-(methylthio)benzylidene]inden-1-yl]propionitrile Formula: C21H18FNS MolecularWeight: 335.437723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)F)CCC#N

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)SC)C=CC(=C2)F)CCC#N

InChI

InChI=1S/C21H18FNS/c1-14-18(4-3-11-23)21-13-16(22)7-10-19(21)20(14)12-15-5-8-17(24-2)9-6-15/h5-10,12-13H,3-4H2,1-2H3/b20-12+