6-chloranyl-N-(2-methylsulfanylphenyl)-2-pyridin-3-yl-quinoline-4-carboxamide hydrochloride

Systemtic Name: 6-chloranyl-N-(2-methylsulfanylphenyl)-2-pyridin-3-yl-quinoline-4-carboxamide hydrochloride Openeye Name: 6-chloro-N-(2-methylsulfanylphenyl)-2-(3-pyridyl)quinoline-4-carboxamide hydrochloride CAS Name: 6-chloro-N-[2-(methylthio)phenyl]-2-(3-pyridinyl)-4-quinolinecarboxamide hydrochloride IUPAC Name: 6-chloro-N-(2-methylsulfanylphenyl)-2-pyridin-3-ylquinoline-4-carboxamide hydrochloride Traditional Name: 6-chloro-N-[2-(methylthio)phenyl]-2-(3-pyridyl)cinchoninamide hydrochloride Formula: C22H17Cl2N3OS MolecularWeight: 442.36088

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4.Cl

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4.Cl

InChI

InChI=1S/C22H16ClN3OS.ClH/c1-28-21-7-3-2-6-19(21)26-22(27)17-12-20(14-5-4-10-24-13-14)25-18-9-8-15(23)11-16(17)18;/h2-13H,1H3,(H,26,27);1H