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

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

Systemtic Name:N-(cyanomethyl)-2-[2-[4-(4-methylsulfanylphenyl)phenyl]ethynyl]cyclohexane-1-carboxamide
Openeye Name:N-(cyanomethyl)-2-[2-[4-(4-methylsulfanylphenyl)phenyl]ethynyl]cyclohexanecarboxamide
CAS Name:N-(cyanomethyl)-2-[2-[4-[4-(methylthio)phenyl]phenyl]ethynyl]-1-cyclohexanecarboxamide
IUPAC Name:N-(cyanomethyl)-2-[2-[4-(4-methylsulfanylphenyl)phenyl]ethynyl]cyclohexane-1-carboxamide
Traditional Name:N-(cyanomethyl)-2-[2-[4-[4-(methylthio)phenyl]phenyl]ethynyl]cyclohexanecarboxamide
Formula: C24H24N2OS
MolecularWeight: 388.52516
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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3CCCCC3C(=O)NCC#N


Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3CCCCC3C(=O)NCC#N


InChI

InChI=1S/C24H24N2OS/c1-28-22-14-12-20(13-15-22)19-9-6-18(7-10-19)8-11-21-4-2-3-5-23(21)24(27)26-17-16-25/h6-7,9-10,12-15,21,23H,2-5,17H2,1H3,(H,26,27)


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