N-(cyanomethyl)-2-[2-(4-methylsulfanylphenyl)ethynyl]cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-2-[2-(4-methylsulfanylphenyl)ethynyl]cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-2-[2-(4-methylsulfanylphenyl)ethynyl]cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-2-[2-[4-(methylthio)phenyl]ethynyl]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-2-[2-(4-methylsulfanylphenyl)ethynyl]cyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-2-[2-[4-(methylthio)phenyl]ethynyl]cyclohexanecarboxamide Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C#CC2CCCCC2C(=O)NCC#N

Isomeric SMILES

CSC1=CC=C(C=C1)C#CC2CCCCC2C(=O)NCC#N

InChI

InChI=1S/C18H20N2OS/c1-22-16-10-7-14(8-11-16)6-9-15-4-2-3-5-17(15)18(21)20-13-12-19/h7-8,10-11,15,17H,2-5,13H2,1H3,(H,20,21)