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

Systemtic Name: 1-hexyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene Openeye Name: 1-hexyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene CAS Name: 1-hexyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene IUPAC Name: 1-hexyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene Traditional Name: 1-hexyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene Formula: C27H29NS MolecularWeight: 399.59086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C27H29NS/c1-2-3-4-5-6-22-9-15-25(16-10-22)26-17-11-23(12-18-26)7-8-24-13-19-27(20-14-24)28-21-29/h9-20H,2-8H2,1H3