1-isothiocyanato-4-[2-[2-(4-pentylphenyl)phenyl]ethyl]benzene

Systemtic Name: 1-isothiocyanato-4-[2-[2-(4-pentylphenyl)phenyl]ethyl]benzene Openeye Name: 1-isothiocyanato-4-[2-[2-(4-pentylphenyl)phenyl]ethyl]benzene CAS Name: 1-isothiocyanato-4-[2-[2-(4-pentylphenyl)phenyl]ethyl]benzene IUPAC Name: 1-isothiocyanato-4-[2-[2-(4-pentylphenyl)phenyl]ethyl]benzene Traditional Name: 1-amyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene Formula: C26H27NS MolecularWeight: 385.56428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=CC=C2CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=CC=C2CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C26H27NS/c1-2-3-4-7-21-10-16-24(17-11-21)26-9-6-5-8-23(26)15-12-22-13-18-25(19-14-22)27-20-28/h5-6,8-11,13-14,16-19H,2-4,7,12,15H2,1H3