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

Systemtic Name: 1-hexyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene Openeye Name: 1-hexyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene CAS Name: 1-hexyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene IUPAC Name: 1-hexyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene Traditional Name: 1-hexyl-4-[2-[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=CC=C2CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=CC=C2CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C27H29NS/c1-2-3-4-5-8-22-11-17-25(18-12-22)27-10-7-6-9-24(27)16-13-23-14-19-26(20-15-23)28-21-29/h6-7,9-12,14-15,17-20H,2-5,8,13,16H2,1H3