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

Systemtic Name: 1-butyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene Openeye Name: 1-butyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene CAS Name: 1-butyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene IUPAC Name: 1-butyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene Traditional Name: 1-butyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene Formula: C25H25NS MolecularWeight: 371.5377

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=CC=C2CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=CC=C2CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C25H25NS/c1-2-3-6-20-9-15-23(16-10-20)25-8-5-4-7-22(25)14-11-21-12-17-24(18-13-21)26-19-27/h4-5,7-10,12-13,15-18H,2-3,6,11,14H2,1H3