4-(4-azanyl-5-sulfanyl-pentoxy)benzenecarbonitrile hydrochloride

Systemtic Name: 4-(4-azanyl-5-sulfanyl-pentoxy)benzenecarbonitrile hydrochloride Openeye Name: 4-(4-amino-5-sulfanyl-pentoxy)benzonitrile hydrochloride CAS Name: 4-(4-amino-5-mercaptopentoxy)benzonitrile hydrochloride IUPAC Name: 4-(4-amino-5-sulfanylpentoxy)benzonitrile hydrochloride Traditional Name: 4-(4-amino-5-mercapto-pentoxy)benzonitrile hydrochloride Formula: C12H17ClN2OS MolecularWeight: 272.79418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2OS.ClH/c13-8-10-3-5-12(6-4-10)15-7-1-2-11(14)9-16;/h3-6,11,16H,1-2,7,9,14H2;1H