4-[(4-methylsulfanylphenyl)amino]-7-pyridin-4-yl-quinoline-3-carboxamide

Systemtic Name: 4-[(4-methylsulfanylphenyl)amino]-7-pyridin-4-yl-quinoline-3-carboxamide Openeye Name: 4-(4-methylsulfanylanilino)-7-(4-pyridyl)quinoline-3-carboxamide CAS Name: 4-[4-(methylthio)anilino]-7-pyridin-4-yl-3-quinolinecarboxamide IUPAC Name: 4-(4-methylsulfanylanilino)-7-pyridin-4-ylquinoline-3-carboxamide Traditional Name: 4-[4-(methylthio)anilino]-7-(4-pyridyl)quinoline-3-carboxamide Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C(=O)N)C4=CC=NC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C(=O)N)C4=CC=NC=C4

InChI

InChI=1S/C22H18N4OS/c1-28-17-5-3-16(4-6-17)26-21-18-7-2-15(14-8-10-24-11-9-14)12-20(18)25-13-19(21)22(23)27/h2-13H,1H3,(H2,23,27)(H,25,26)