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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CCC2=CC=CC=C2C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CCC2=CC=CC=C2C3=CC=C(C=C3)N=C=S

InChI

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