N1'-(1-cyanoethyl)-5-ethyl-6-fluoranyl-6-methylsulfanyl-cyclohexa-2,4-diene-1,1-dicarboxamide

Systemtic Name: N1'-(1-cyanoethyl)-5-ethyl-6-fluoranyl-6-methylsulfanyl-cyclohexa-2,4-diene-1,1-dicarboxamide Openeye Name: N1'-(1-cyanoethyl)-5-ethyl-6-fluoro-6-methylsulfanyl-cyclohexa-2,4-diene-1,1-dicarboxamide CAS Name: N1'-(1-cyanoethyl)-5-ethyl-6-fluoro-6-(methylthio)cyclohexa-2,4-diene-1,1-dicarboxamide IUPAC Name: 1-N'-(1-cyanoethyl)-5-ethyl-6-fluoro-6-methylsulfanylcyclohexa-2,4-diene-1,1-dicarboxamide Traditional Name: N'-(1-cyanoethyl)-5-ethyl-6-fluoro-6-(methylthio)cyclohexa-2,4-diene-1,1-dicarboxamide Formula: C14H18FN3O2S MolecularWeight: 311.375023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(C1(F)SC)(C(=O)N)C(=O)NC(C)C#N

Isomeric SMILES

CCC1=CC=CC(C1(F)SC)(C(=O)N)C(=O)NC(C)C#N

InChI

InChI=1S/C14H18FN3O2S/c1-4-10-6-5-7-13(11(17)19,14(10,15)21-3)12(20)18-9(2)8-16/h5-7,9H,4H2,1-3H3,(H2,17,19)(H,18,20)