4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-3-cyano-7-methoxy-N-oxidanyl-quinolin-6-amine oxide

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-3-cyano-7-methoxy-N-oxidanyl-quinolin-6-amine oxide Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-3-cyano-N-hydroxy-7-methoxy-quinolin-6-amine oxide CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-3-cyano-N-hydroxy-7-methoxy-6-quinolinamine oxide IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-3-cyano-N-hydroxy-7-methoxyquinolin-6-amine oxide Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-3-cyano-N-hydroxy-7-methoxy-quinolin-6-amine oxide Formula: C21H17ClN6O3S MolecularWeight: 468.91608

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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)[NH+](O)[O-])OC)C#N)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)[NH+](O)[O-])OC)C#N)Cl

InChI

InChI=1S/C21H17ClN6O3S/c1-27-6-5-24-21(27)32-19-4-3-13(7-15(19)22)26-20-12(10-23)11-25-16-9-18(31-2)17(28(29)30)8-14(16)20/h3-9,11,28-29H,1-2H3,(H,25,26)