2-[1-(isothiocyanatomethyl)cyclohexyl]-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-[1-(isothiocyanatomethyl)cyclohexyl]-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[1-(isothiocyanatomethyl)cyclohexyl]-5-(trifluoromethyl)benzonitrile CAS Name: 2-[1-(isothiocyanatomethyl)cyclohexyl]-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-[1-(isothiocyanatomethyl)cyclohexyl]-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[1-(isothiocyanatomethyl)cyclohexyl]-5-(trifluoromethyl)benzonitrile Formula: C16H15F3N2S MolecularWeight: 324.36391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN=C=S)C2=C(C=C(C=C2)C(F)(F)F)C#N

Isomeric SMILES

C1CCC(CC1)(CN=C=S)C2=C(C=C(C=C2)C(F)(F)F)C#N

InChI

InChI=1S/C16H15F3N2S/c17-16(18,19)13-4-5-14(12(8-13)9-20)15(10-21-11-22)6-2-1-3-7-15/h4-5,8H,1-3,6-7,10H2