4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(1H-imidazol-5-ylmethylamino)-8-methylsulfinyl-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(1H-imidazol-5-ylmethylamino)-8-methylsulfinyl-quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-6-(1H-imidazol-5-ylmethylamino)-8-methylsulfinyl-quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-6-(1H-imidazol-5-ylmethylamino)-8-methylsulfinyl-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-6-(1H-imidazol-5-ylmethylamino)-8-methylsulfinylquinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-6-(1H-imidazol-5-ylmethylamino)-8-methylsulfinyl-quinoline-3-carbonitrile Formula: C21H16ClFN6OS MolecularWeight: 454.907743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C2C(=CC(=C1)NCC3=CN=CN3)C(=C(C=N2)C#N)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CS(=O)C1=C2C(=CC(=C1)NCC3=CN=CN3)C(=C(C=N2)C#N)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H16ClFN6OS/c1-31(30)19-6-14(26-10-15-9-25-11-28-15)4-16-20(12(7-24)8-27-21(16)19)29-13-2-3-18(23)17(22)5-13/h2-6,8-9,11,26H,10H2,1H3,(H,25,28)(H,27,29)