1-(1-hexan-3-ylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene

Systemtic Name: 1-(1-hexan-3-ylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene Openeye Name: 1-[1-(1-ethylbutyl)cyclohexyl]-4-[2-(4-isothiocyanatophenyl)ethyl]benzene CAS Name: 1-(1-hexan-3-ylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene IUPAC Name: 1-(1-hexan-3-ylcyclohexyl)-4-[2-(4-isothiocyanatophenyl)ethyl]benzene Traditional Name: 1-[1-(1-ethylbutyl)cyclohexyl]-4-[2-(4-isothiocyanatophenyl)ethyl]benzene Formula: C27H35NS MolecularWeight: 405.6385

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C1(CCCCC1)C2=CC=C(C=C2)CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCC(CC)C1(CCCCC1)C2=CC=C(C=C2)CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C27H35NS/c1-3-8-24(4-2)27(19-6-5-7-20-27)25-15-11-22(12-16-25)9-10-23-13-17-26(18-14-23)28-21-29/h11-18,24H,3-10,19-20H2,1-2H3