4-(6-azanyl-7-sulfanyl-heptoxy)benzenecarbonitrile hydrochloride

Systemtic Name: 4-(6-azanyl-7-sulfanyl-heptoxy)benzenecarbonitrile hydrochloride Openeye Name: 4-(6-amino-7-sulfanyl-heptoxy)benzonitrile hydrochloride CAS Name: 4-(6-amino-7-mercaptoheptoxy)benzonitrile hydrochloride IUPAC Name: 4-(6-amino-7-sulfanylheptoxy)benzonitrile hydrochloride Traditional Name: 4-(6-amino-7-mercapto-heptoxy)benzonitrile hydrochloride Formula: C14H21ClN2OS MolecularWeight: 300.84734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2OS.ClH/c15-10-12-5-7-14(8-6-12)17-9-3-1-2-4-13(16)11-18;/h5-8,13,18H,1-4,9,11,16H2;1H