N-(cyanomethyl)-2-[2-[4-(fluoranylmethylsulfanyl)phenyl]phenyl]cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-2-[2-[4-(fluoranylmethylsulfanyl)phenyl]phenyl]cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-2-[2-[4-(fluoromethylsulfanyl)phenyl]phenyl]cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-2-[2-[4-(fluoromethylthio)phenyl]phenyl]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-2-[2-[4-(fluoromethylsulfanyl)phenyl]phenyl]cyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-2-[2-[4-(fluoromethylthio)phenyl]phenyl]cyclohexanecarboxamide Formula: C22H23FN2OS MolecularWeight: 382.494223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=CC=C2C3=CC=C(C=C3)SCF)C(=O)NCC#N

Isomeric SMILES

C1CCC(C(C1)C2=CC=CC=C2C3=CC=C(C=C3)SCF)C(=O)NCC#N

InChI

InChI=1S/C22H23FN2OS/c23-15-27-17-11-9-16(10-12-17)18-5-1-2-6-19(18)20-7-3-4-8-21(20)22(26)25-14-13-24/h1-2,5-6,9-12,20-21H,3-4,7-8,14-15H2,(H,25,26)