4-(4-isothiocyanatophenyl)-1-pentyl-bicyclo[2.2.2]octane

Systemtic Name: 4-(4-isothiocyanatophenyl)-1-pentyl-bicyclo[2.2.2]octane Openeye Name: 4-(4-isothiocyanatophenyl)-1-pentyl-bicyclo[2.2.2]octane CAS Name: 4-(4-isothiocyanatophenyl)-1-pentylbicyclo[2.2.2]octane IUPAC Name: 4-(4-isothiocyanatophenyl)-1-pentylbicyclo[2.2.2]octane Traditional Name: 1-amyl-4-(4-isothiocyanatophenyl)bicyclo[2.2.2]octane Formula: C20H27NS MolecularWeight: 313.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C20H27NS/c1-2-3-4-9-19-10-13-20(14-11-19,15-12-19)17-5-7-18(8-6-17)21-16-22/h5-8H,2-4,9-15H2,1H3