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5-[4-[(4-hexylphenyl)diazenyl]phenoxy]pentyl carbamimidothioate

5-[4-[(4-hexylphenyl)diazenyl]phenoxy]pentyl carbamimidothioate

Systemtic Name:5-[4-[(4-hexylphenyl)diazenyl]phenoxy]pentyl carbamimidothioate
Openeye Name:2-[5-[4-(4-hexylphenyl)azophenoxy]pentyl]isothiourea
CAS Name:carbamimidothioic acid 5-[4-(4-hexylphenyl)azophenoxy]pentyl ester
IUPAC Name:5-[4-[(4-hexylphenyl)diazenyl]phenoxy]pentyl carbamimidothioate
Traditional Name:2-[5-[4-(4-hexylphenyl)azophenoxy]pentyl]isothiourea
Formula: C24H34N4OS
MolecularWeight: 426.61796
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCSC(=N)N


Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCSC(=N)N


InChI

InChI=1S/C24H34N4OS/c1-2-3-4-6-9-20-10-12-21(13-11-20)27-28-22-14-16-23(17-15-22)29-18-7-5-8-19-30-24(25)26/h10-17H,2-9,18-19H2,1H3,(H3,25,26)


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