4-[2-(2-dimethylaminoethylsulfanyl)quinolin-3-yl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[2-(2-dimethylaminoethylsulfanyl)quinolin-3-yl]benzenecarbonitrile hydrochloride Openeye Name: 4-[2-(2-dimethylaminoethylsulfanyl)-3-quinolyl]benzonitrile hydrochloride CAS Name: 4-[2-(2-dimethylaminoethylthio)-3-quinolinyl]benzonitrile hydrochloride IUPAC Name: 4-[2-(2-dimethylaminoethylsulfanyl)quinolin-3-yl]benzonitrile hydrochloride Traditional Name: 4-[2-(2-dimethylaminoethylthio)-3-quinolyl]benzonitrile hydrochloride Formula: C20H20ClN3S MolecularWeight: 369.9109

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=C(C=C3)C#N.Cl

Isomeric SMILES

CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=C(C=C3)C#N.Cl

InChI

InChI=1S/C20H19N3S.ClH/c1-23(2)11-12-24-20-18(16-9-7-15(14-21)8-10-16)13-17-5-3-4-6-19(17)22-20;/h3-10,13H,11-12H2,1-2H3;1H