1-isothiocyanato-4-[2-[2-[4-(2-methylbutoxy)phenyl]phenyl]ethyl]benzene

Systemtic Name: 1-isothiocyanato-4-[2-[2-[4-(2-methylbutoxy)phenyl]phenyl]ethyl]benzene Openeye Name: 1-isothiocyanato-4-[2-[2-[4-(2-methylbutoxy)phenyl]phenyl]ethyl]benzene CAS Name: 1-isothiocyanato-4-[2-[2-[4-(2-methylbutoxy)phenyl]phenyl]ethyl]benzene IUPAC Name: 1-isothiocyanato-4-[2-[2-[4-(2-methylbutoxy)phenyl]phenyl]ethyl]benzene Traditional Name: 1-isothiocyanato-4-[2-[2-[4-(2-methylbutoxy)phenyl]phenyl]ethyl]benzene Formula: C26H27NOS MolecularWeight: 401.56368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC1=CC=C(C=C1)C2=CC=CC=C2CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCC(C)COC1=CC=C(C=C1)C2=CC=CC=C2CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C26H27NOS/c1-3-20(2)18-28-25-16-12-23(13-17-25)26-7-5-4-6-22(26)11-8-21-9-14-24(15-10-21)27-19-29/h4-7,9-10,12-17,20H,3,8,11,18H2,1-2H3