4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(6-morpholin-4-ylpyridin-3-yl)quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(6-morpholin-4-ylpyridin-3-yl)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-(6-morpholino-3-pyridyl)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[6-(4-morpholinyl)-3-pyridinyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-(6-morpholin-4-ylpyridin-3-yl)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-(6-morpholino-3-pyridyl)quinoline-3-carbonitrile Formula: C29H24ClN7OS MolecularWeight: 554.06516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CN=C(C=C5)N6CCOCC6)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CN=C(C=C5)N6CCOCC6)Cl

InChI

InChI=1S/C29H24ClN7OS/c1-36-9-8-32-29(36)39-26-6-4-22(15-24(26)30)35-28-21(16-31)18-33-25-14-19(2-5-23(25)28)20-3-7-27(34-17-20)37-10-12-38-13-11-37/h2-9,14-15,17-18H,10-13H2,1H3,(H,33,35)