2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-3,3-bis[(3-fluorophenyl)methylsulfanyl]prop-2-enamide

Systemtic Name: 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-3,3-bis[(3-fluorophenyl)methylsulfanyl]prop-2-enamide Openeye Name: 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-3,3-bis[(3-fluorophenyl)methylsulfanyl]prop-2-enamide CAS Name: 2-cyano-N-[2-(1-cyclohexenyl)ethyl]-3,3-bis[(3-fluorophenyl)methylthio]-2-propenamide IUPAC Name: 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-3,3-bis[(3-fluorophenyl)methylsulfanyl]prop-2-enamide Traditional Name: 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-3,3-bis[(3-fluorobenzyl)thio]acrylamide Formula: C26H26F2N2OS2 MolecularWeight: 484.624246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C(=C(SCC2=CC(=CC=C2)F)SCC3=CC(=CC=C3)F)C#N

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C(=C(SCC2=CC(=CC=C2)F)SCC3=CC(=CC=C3)F)C#N

InChI

InChI=1S/C26H26F2N2OS2/c27-22-10-4-8-20(14-22)17-32-26(33-18-21-9-5-11-23(28)15-21)24(16-29)25(31)30-13-12-19-6-2-1-3-7-19/h4-6,8-11,14-15H,1-3,7,12-13,17-18H2,(H,30,31)