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

Systemtic Name: 2-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6-nitro-quinoline-3-carbonitrile Openeye Name: 2-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-6-nitro-quinoline-3-carbonitrile CAS Name: 2-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-6-nitro-3-quinolinecarbonitrile IUPAC Name: 2-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-nitroquinoline-3-carbonitrile Traditional Name: 2-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-6-nitro-quinoline-3-carbonitrile Formula: C20H13ClN6O2S MolecularWeight: 436.87422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=NC4=C(C=C(C=C4)[N+](=O)[O-])C=C3C#N)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=NC4=C(C=C(C=C4)[N+](=O)[O-])C=C3C#N)Cl

InChI

InChI=1S/C20H13ClN6O2S/c1-26-7-6-23-20(26)30-18-5-2-14(10-16(18)21)24-19-13(11-22)8-12-9-15(27(28)29)3-4-17(12)25-19/h2-10H,1H3,(H,24,25)