N-[5-[2-(cyanomethylsulfanyl)ethanoylamino]-2-fluoranyl-phenyl]cyclopropanecarboxamide

Systemtic Name: N-[5-[2-(cyanomethylsulfanyl)ethanoylamino]-2-fluoranyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[5-[[2-(cyanomethylsulfanyl)acetyl]amino]-2-fluoro-phenyl]cyclopropanecarboxamide CAS Name: N-[5-[[2-(cyanomethylthio)-1-oxoethyl]amino]-2-fluorophenyl]cyclopropanecarboxamide IUPAC Name: N-[5-[[2-(cyanomethylsulfanyl)acetyl]amino]-2-fluorophenyl]cyclopropanecarboxamide Traditional Name: N-[5-[[2-(cyanomethylthio)acetyl]amino]-2-fluoro-phenyl]cyclopropanecarboxamide Formula: C14H14FN3O2S MolecularWeight: 307.343263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=C(C=CC(=C2)NC(=O)CSCC#N)F

Isomeric SMILES

C1CC1C(=O)NC2=C(C=CC(=C2)NC(=O)CSCC#N)F

InChI

InChI=1S/C14H14FN3O2S/c15-11-4-3-10(17-13(19)8-21-6-5-16)7-12(11)18-14(20)9-1-2-9/h3-4,7,9H,1-2,6,8H2,(H,17,19)(H,18,20)