(3-cyano-6,7-dimethoxy-quinolin-4-yl)-(3-methylsulfanylphenyl)azanium chloride

Systemtic Name: (3-cyano-6,7-dimethoxy-quinolin-4-yl)-(3-methylsulfanylphenyl)azanium chloride Openeye Name: (3-cyano-6,7-dimethoxy-4-quinolyl)-(3-methylsulfanylphenyl)ammonium chloride CAS Name: (3-cyano-6,7-dimethoxy-4-quinolinyl)-[3-(methylthio)phenyl]ammonium chloride IUPAC Name: (3-cyano-6,7-dimethoxyquinolin-4-yl)-(3-methylsulfanylphenyl)azanium chloride Traditional Name: (3-cyano-6,7-dimethoxy-4-quinolyl)-[3-(methylthio)phenyl]ammonium chloride Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)[NH2+]C3=CC(=CC=C3)SC)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)[NH2+]C3=CC(=CC=C3)SC)OC.[Cl-]

InChI

InChI=1S/C19H17N3O2S.ClH/c1-23-17-8-15-16(9-18(17)24-2)21-11-12(10-20)19(15)22-13-5-4-6-14(7-13)25-3;/h4-9,11H,1-3H3,(H,21,22);1H