4-(5-azanyl-6-sulfanyl-hexoxy)benzenecarbonitrile hydrochloride

Systemtic Name: 4-(5-azanyl-6-sulfanyl-hexoxy)benzenecarbonitrile hydrochloride Openeye Name: 4-(5-amino-6-sulfanyl-hexoxy)benzonitrile hydrochloride CAS Name: 4-(5-amino-6-mercaptohexoxy)benzonitrile hydrochloride IUPAC Name: 4-(5-amino-6-sulfanylhexoxy)benzonitrile hydrochloride Traditional Name: 4-(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=C1C#N)OCCCCC(CS)N.Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)OCCCCC(CS)N.Cl

InChI

InChI=1S/C13H18N2OS.ClH/c14-9-11-4-6-13(7-5-11)16-8-2-1-3-12(15)10-17;/h4-7,12,17H,1-3,8,10,15H2;1H