7-methoxy-4-(1-methylimidazol-2-yl)sulfanyl-6-nitro-2-phenylazanyl-quinoline-3-carbonitrile

Systemtic Name: 7-methoxy-4-(1-methylimidazol-2-yl)sulfanyl-6-nitro-2-phenylazanyl-quinoline-3-carbonitrile Openeye Name: 2-anilino-7-methoxy-4-(1-methylimidazol-2-yl)sulfanyl-6-nitro-quinoline-3-carbonitrile CAS Name: 2-anilino-7-methoxy-4-[(1-methyl-2-imidazolyl)thio]-6-nitro-3-quinolinecarbonitrile IUPAC Name: 2-anilino-7-methoxy-4-(1-methylimidazol-2-yl)sulfanyl-6-nitroquinoline-3-carbonitrile Traditional Name: 2-anilino-7-methoxy-4-[(1-methylimidazol-2-yl)thio]-6-nitro-quinoline-3-carbonitrile Formula: C21H16N6O3S MolecularWeight: 432.45514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C(=NC3=CC(=C(C=C32)[N+](=O)[O-])OC)NC4=CC=CC=C4)C#N

Isomeric SMILES

CN1C=CN=C1SC2=C(C(=NC3=CC(=C(C=C32)[N+](=O)[O-])OC)NC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H16N6O3S/c1-26-9-8-23-21(26)31-19-14-10-17(27(28)29)18(30-2)11-16(14)25-20(15(19)12-22)24-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,24,25)