1-butyl-4-[2-(4-isothiocyanatophenyl)ethyl]bicyclo[2.2.2]octane

Systemtic Name: 1-butyl-4-[2-(4-isothiocyanatophenyl)ethyl]bicyclo[2.2.2]octane Openeye Name: 1-butyl-4-[2-(4-isothiocyanatophenyl)ethyl]bicyclo[2.2.2]octane CAS Name: 1-butyl-4-[2-(4-isothiocyanatophenyl)ethyl]bicyclo[2.2.2]octane IUPAC Name: 1-butyl-4-[2-(4-isothiocyanatophenyl)ethyl]bicyclo[2.2.2]octane Traditional Name: 1-butyl-4-[2-(4-isothiocyanatophenyl)ethyl]bicyclo[2.2.2]octane Formula: C21H29NS MolecularWeight: 327.52666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(CC1)(CC2)CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCC12CCC(CC1)(CC2)CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C21H29NS/c1-2-3-9-20-11-14-21(15-12-20,16-13-20)10-8-18-4-6-19(7-5-18)22-17-23/h4-7H,2-3,8-16H2,1H3