2-[5-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-3-yl]cyclopropane-1-carbonitrile

Systemtic Name: 2-[5-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-3-yl]cyclopropane-1-carbonitrile Openeye Name: 2-[5-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]benzothiophen-3-yl]cyclopropanecarbonitrile CAS Name: 2-[5-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-3-yl]-1-cyclopropanecarbonitrile IUPAC Name: 2-[5-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-3-yl]cyclopropane-1-carbonitrile Traditional Name: 2-[5-methoxy-2-[3-(trifluoromethyl)benzyl]benzothiophen-3-yl]cyclopropanecarbonitrile Formula: C21H16F3NOS MolecularWeight: 387.41805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=C2C3CC3C#N)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=C2C3CC3C#N)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H16F3NOS/c1-26-15-5-6-18-17(10-15)20(16-9-13(16)11-25)19(27-18)8-12-3-2-4-14(7-12)21(22,23)24/h2-7,10,13,16H,8-9H2,1H3