3-(5-azanyl-6-sulfanyl-hexoxy)benzenecarbonitrile hydrochloride

Systemtic Name: 3-(5-azanyl-6-sulfanyl-hexoxy)benzenecarbonitrile hydrochloride Openeye Name: 3-(5-amino-6-sulfanyl-hexoxy)benzonitrile hydrochloride CAS Name: 3-(5-amino-6-mercaptohexoxy)benzonitrile hydrochloride IUPAC Name: 3-(5-amino-6-sulfanylhexoxy)benzonitrile hydrochloride Traditional Name: 3-(5-amino-6-mercapto-hexoxy)benzonitrile hydrochloride Formula: C13H19ClN2OS MolecularWeight: 286.82076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCCC(CS)N)C#N.Cl

Isomeric SMILES

C1=CC(=CC(=C1)OCCCCC(CS)N)C#N.Cl

InChI

InChI=1S/C13H18N2OS.ClH/c14-9-11-4-3-6-13(8-11)16-7-2-1-5-12(15)10-17;/h3-4,6,8,12,17H,1-2,5,7,10,15H2;1H