2-(2-azanyl-1-phenyl-ethyl)sulfanyl-4-methoxy-benzenecarbonitrile hydrochloride

Systemtic Name: 2-(2-azanyl-1-phenyl-ethyl)sulfanyl-4-methoxy-benzenecarbonitrile hydrochloride Openeye Name: 2-(2-amino-1-phenyl-ethyl)sulfanyl-4-methoxy-benzonitrile hydrochloride CAS Name: 2-[(2-amino-1-phenylethyl)thio]-4-methoxybenzonitrile hydrochloride IUPAC Name: 2-(2-amino-1-phenylethyl)sulfanyl-4-methoxybenzonitrile hydrochloride Traditional Name: 2-[(2-amino-1-phenyl-ethyl)thio]-4-methoxy-benzonitrile hydrochloride Formula: C16H17ClN2OS MolecularWeight: 320.83698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C#N)SC(CN)C2=CC=CC=C2.Cl

Isomeric SMILES

COC1=CC(=C(C=C1)C#N)SC(CN)C2=CC=CC=C2.Cl

InChI

InChI=1S/C16H16N2OS.ClH/c1-19-14-8-7-13(10-17)15(9-14)20-16(11-18)12-5-3-2-4-6-12;/h2-9,16H,11,18H2,1H3;1H