1-isothiocyanato-4-[2-[2-[4-(3-methylpentoxy)phenyl]phenyl]ethyl]benzene

Systemtic Name: 1-isothiocyanato-4-[2-[2-[4-(3-methylpentoxy)phenyl]phenyl]ethyl]benzene Openeye Name: 1-isothiocyanato-4-[2-[2-[4-(3-methylpentoxy)phenyl]phenyl]ethyl]benzene CAS Name: 1-isothiocyanato-4-[2-[2-[4-(3-methylpentoxy)phenyl]phenyl]ethyl]benzene IUPAC Name: 1-isothiocyanato-4-[2-[2-[4-(3-methylpentoxy)phenyl]phenyl]ethyl]benzene Traditional Name: 1-isothiocyanato-4-[2-[2-[4-(3-methylpentoxy)phenyl]phenyl]ethyl]benzene Formula: C27H29NOS MolecularWeight: 415.59026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCOC1=CC=C(C=C1)C2=CC=CC=C2CCC3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCC(C)CCOC1=CC=C(C=C1)C2=CC=CC=C2CCC3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C27H29NOS/c1-3-21(2)18-19-29-26-16-12-24(13-17-26)27-7-5-4-6-23(27)11-8-22-9-14-25(15-10-22)28-20-30/h4-7,9-10,12-17,21H,3,8,11,18-19H2,1-2H3