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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-fluoranyl-6-methoxy-quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-fluoro-6-methoxy-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-fluoro-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-fluoro-6-methoxyquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-fluoro-6-methoxy-quinoline-3-carbonitrile Formula: C21H15ClFN5OS MolecularWeight: 439.893103

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)F)C#N)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)F)C#N)Cl

InChI

InChI=1S/C21H15ClFN5OS/c1-28-6-5-25-21(28)30-19-4-3-13(7-15(19)22)27-20-12(10-24)11-26-17-9-16(23)18(29-2)8-14(17)20/h3-9,11H,1-2H3,(H,26,27)