2-(2-azanyl-1-pyridin-3-yl-ethyl)sulfanyl-4-chloranyl-benzenecarbonitrile dihydrochloride

Systemtic Name: 2-(2-azanyl-1-pyridin-3-yl-ethyl)sulfanyl-4-chloranyl-benzenecarbonitrile dihydrochloride Openeye Name: 2-[2-amino-1-(3-pyridyl)ethyl]sulfanyl-4-chloro-benzonitrile dihydrochloride CAS Name: 2-[[2-amino-1-(3-pyridinyl)ethyl]thio]-4-chlorobenzonitrile dihydrochloride IUPAC Name: 2-(2-amino-1-pyridin-3-ylethyl)sulfanyl-4-chlorobenzonitrile dihydrochloride Traditional Name: 2-[[2-amino-1-(3-pyridyl)ethyl]thio]-4-chloro-benzonitrile dihydrochloride Formula: C14H14Cl3N3S MolecularWeight: 362.70506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CN)SC2=C(C=CC(=C2)Cl)C#N.Cl.Cl

Isomeric SMILES

C1=CC(=CN=C1)C(CN)SC2=C(C=CC(=C2)Cl)C#N.Cl.Cl

InChI

InChI=1S/C14H12ClN3S.2ClH/c15-12-4-3-10(7-16)13(6-12)19-14(8-17)11-2-1-5-18-9-11;;/h1-6,9,14H,8,17H2;2*1H