4-[(3-chloranyl-4-imidazol-1-ylsulfanyl-phenyl)amino]-3-cyano-7-methoxy-N-oxidanyl-quinolin-6-amine oxide

Systemtic Name: 4-[(3-chloranyl-4-imidazol-1-ylsulfanyl-phenyl)amino]-3-cyano-7-methoxy-N-oxidanyl-quinolin-6-amine oxide Openeye Name: 4-(3-chloro-4-imidazol-1-ylsulfanyl-anilino)-3-cyano-N-hydroxy-7-methoxy-quinolin-6-amine oxide CAS Name: 4-[3-chloro-4-(1-imidazolylthio)anilino]-3-cyano-N-hydroxy-7-methoxy-6-quinolinamine oxide IUPAC Name: 4-(3-chloro-4-imidazol-1-ylsulfanylanilino)-3-cyano-N-hydroxy-7-methoxyquinolin-6-amine oxide Traditional Name: 4-[3-chloro-4-(imidazol-1-ylthio)anilino]-3-cyano-N-hydroxy-7-methoxy-quinolin-6-amine oxide Formula: C20H15ClN6O3S MolecularWeight: 454.8895

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SN4C=CN=C4)Cl)C#N)[NH+](O)[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SN4C=CN=C4)Cl)C#N)[NH+](O)[O-]

InChI

InChI=1S/C20H15ClN6O3S/c1-30-18-8-16-14(7-17(18)27(28)29)20(12(9-22)10-24-16)25-13-2-3-19(15(21)6-13)31-26-5-4-23-11-26/h2-8,10-11,27-28H,1H3,(H,24,25)