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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-methoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-methoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-methoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-methoxy-6-nitro-quinoline-3-carbonitrile Formula: C21H15ClN6O3S MolecularWeight: 466.9002

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN6O3S/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/h3-9,11H,1-2H3,(H,25,26)