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

Systemtic Name: 1-heptyl-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene Openeye Name: 1-heptyl-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene CAS Name: 1-heptyl-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene IUPAC Name: 1-heptyl-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene Traditional Name: 1-heptyl-4-[2-[2-(4-isothiocyanatophenyl)phenyl]ethyl]benzene Formula: C28H31NS MolecularWeight: 413.61744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)CCC2=CC=CC=C2C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)CCC2=CC=CC=C2C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C28H31NS/c1-2-3-4-5-6-9-23-12-14-24(15-13-23)16-17-25-10-7-8-11-28(25)26-18-20-27(21-19-26)29-22-30/h7-8,10-15,18-21H,2-6,9,16-17H2,1H3