N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-fluoranyl-4-methoxy-phenyl)propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-fluoranyl-4-methoxy-phenyl)propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-fluoro-4-methoxy-phenyl)propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(3-fluoro-4-methoxy-phenyl)propionamide Formula: C20H21FN2O2S MolecularWeight: 372.456343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCCSCC2=CC=CC=C2C#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCCSCC2=CC=CC=C2C#N)F

InChI

InChI=1S/C20H21FN2O2S/c1-25-19-8-6-15(12-18(19)21)7-9-20(24)23-10-11-26-14-17-5-3-2-4-16(17)13-22/h2-6,8,12H,7,9-11,14H2,1H3,(H,23,24)