1-(4-butylcyclohexyl)-4-[2-[4-(4-isothiocyanatophenyl)cyclohexyl]ethyl]benzene

Systemtic Name: 1-(4-butylcyclohexyl)-4-[2-[4-(4-isothiocyanatophenyl)cyclohexyl]ethyl]benzene Openeye Name: 1-(4-butylcyclohexyl)-4-[2-[4-(4-isothiocyanatophenyl)cyclohexyl]ethyl]benzene CAS Name: 1-(4-butylcyclohexyl)-4-[2-[4-(4-isothiocyanatophenyl)cyclohexyl]ethyl]benzene IUPAC Name: 1-(4-butylcyclohexyl)-4-[2-[4-(4-isothiocyanatophenyl)cyclohexyl]ethyl]benzene Traditional Name: 1-(4-butylcyclohexyl)-4-[2-[4-(4-isothiocyanatophenyl)cyclohexyl]ethyl]benzene Formula: C31H41NS MolecularWeight: 459.72894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=CC=C(C=C2)CCC3CCC(CC3)C4=CC=C(C=C4)N=C=S

Isomeric SMILES

CCCCC1CCC(CC1)C2=CC=C(C=C2)CCC3CCC(CC3)C4=CC=C(C=C4)N=C=S

InChI

InChI=1S/C31H41NS/c1-2-3-4-24-7-13-27(14-8-24)28-15-9-25(10-16-28)5-6-26-11-17-29(18-12-26)30-19-21-31(22-20-30)32-23-33/h9-10,15-16,19-22,24,26-27,29H,2-8,11-14,17-18H2,1H3