5-[4-[(4-butylphenyl)diazenyl]phenoxy]pentane-1-thiol

Systemtic Name: 5-[4-[(4-butylphenyl)diazenyl]phenoxy]pentane-1-thiol Openeye Name: 5-[4-(4-butylphenyl)azophenoxy]pentane-1-thiol CAS Name: 5-[4-(4-butylphenyl)azophenoxy]-1-pentanethiol IUPAC Name: 5-[4-[(4-butylphenyl)diazenyl]phenoxy]pentane-1-thiol Traditional Name: 5-[4-(4-butylphenyl)azophenoxy]pentane-1-thiol Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCS

Isomeric SMILES

CCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCS

InChI

InChI=1S/C21H28N2OS/c1-2-3-7-18-8-10-19(11-9-18)22-23-20-12-14-21(15-13-20)24-16-5-4-6-17-25/h8-15,25H,2-7,16-17H2,1H3