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

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

Systemtic Name:1-butoxy-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene
Openeye Name:1-butoxy-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene
CAS Name:1-butoxy-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene
IUPAC Name:1-butoxy-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene
Traditional Name:1-butoxy-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene
Formula: C25H25NOS
MolecularWeight: 387.5371
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CCC2=CC=CC=C2C3=CC=C(C=C3)N=C=S


Isomeric SMILES

CCCCOC1=CC=C(C=C1)CCC2=CC=CC=C2C3=CC=C(C=C3)N=C=S


InChI

InChI=1S/C25H25NOS/c1-2-3-18-27-24-16-9-20(10-17-24)8-11-21-6-4-5-7-25(21)22-12-14-23(15-13-22)26-19-28/h4-7,9-10,12-17H,2-3,8,11,18H2,1H3


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