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

Systemtic Name: 1-isothiocyanato-4-[2-[2-(4-pentoxyphenyl)phenyl]ethyl]benzene Openeye Name: 1-isothiocyanato-4-[2-[2-(4-pentoxyphenyl)phenyl]ethyl]benzene CAS Name: 1-isothiocyanato-4-[2-[2-(4-pentoxyphenyl)phenyl]ethyl]benzene IUPAC Name: 1-isothiocyanato-4-[2-[2-(4-pentoxyphenyl)phenyl]ethyl]benzene Traditional Name: 1-amoxy-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene Formula: C26H27NOS MolecularWeight: 401.56368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=CC=C2CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=CC=C2CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C26H27NOS/c1-2-3-6-19-28-25-17-13-23(14-18-25)26-8-5-4-7-22(26)12-9-21-10-15-24(16-11-21)27-20-29/h4-5,7-8,10-11,13-18H,2-3,6,9,12,19H2,1H3