4-[(3-chloranyl-4-imidazol-1-ylsulfanyl-phenyl)amino]-7-methoxy-6-[oxidanidyl(oxidanyl)amino]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-imidazol-1-ylsulfanyl-phenyl)amino]-7-methoxy-6-[oxidanidyl(oxidanyl)amino]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-imidazol-1-ylsulfanyl-anilino)-6-[hydroxy(oxido)amino]-7-methoxy-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(1-imidazolylthio)anilino]-6-[hydroxy(oxido)amino]-7-methoxy-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-imidazol-1-ylsulfanylanilino)-6-[hydroxy(oxido)amino]-7-methoxyquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(imidazol-1-ylthio)anilino]-6-[hydroxy(oxido)amino]-7-methoxy-quinoline-3-carbonitrile Formula: C20H14ClN6O3S- MolecularWeight: 453.88156

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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)N(O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN6O3S/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/h2-8,10-11,28H,1H3,(H,24,25)/q-1