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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CCC2=CC=CC=C2C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCC1=CC=C(C=C1)CCC2=CC=CC=C2C3=CC=C(C=C3)N=C=S

InChI

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