1-(4-heptylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene

Systemtic Name: 1-(4-heptylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene Openeye Name: 1-(4-heptylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene CAS Name: 1-(4-heptylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene IUPAC Name: 1-(4-heptylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene Traditional Name: 1-(4-heptylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene Formula: C28H37NS MolecularWeight: 419.66508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C28H37NS/c1-2-3-4-5-6-7-23-10-16-26(17-11-23)27-18-12-24(13-19-27)8-9-25-14-20-28(21-15-25)29-22-30/h12-15,18-21,23,26H,2-11,16-17H2,1H3