1-hexyl-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene

Systemtic Name: 1-hexyl-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene Openeye Name: 1-hexyl-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene CAS Name: 1-hexyl-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene IUPAC Name: 1-hexyl-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene Traditional Name: 1-hexyl-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene Formula: C27H29NS MolecularWeight: 399.59086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CCC2=CC=CC=C2C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CCC2=CC=CC=C2C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C27H29NS/c1-2-3-4-5-8-22-11-13-23(14-12-22)15-16-24-9-6-7-10-27(24)25-17-19-26(20-18-25)28-21-29/h6-7,9-14,17-20H,2-5,8,15-16H2,1H3