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

Systemtic Name: 4-(4-isothiocyanatophenyl)-1-propyl-bicyclo[2.2.2]octane Openeye Name: 4-(4-isothiocyanatophenyl)-1-propyl-bicyclo[2.2.2]octane CAS Name: 4-(4-isothiocyanatophenyl)-1-propylbicyclo[2.2.2]octane IUPAC Name: 4-(4-isothiocyanatophenyl)-1-propylbicyclo[2.2.2]octane Traditional Name: 4-(4-isothiocyanatophenyl)-1-propyl-bicyclo[2.2.2]octane Formula: C18H23NS MolecularWeight: 285.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C18H23NS/c1-2-7-17-8-11-18(12-9-17,13-10-17)15-3-5-16(6-4-15)19-14-20/h3-6H,2,7-13H2,1H3