4-[[3-chloranyl-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-phenyl]amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-phenyl]amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-7-ethoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-7-ethoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(4,6-dimethylpyrimidin-2-yl)thio]anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Formula: C24H19ClN6O3S MolecularWeight: 506.96406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC(=CC(=N4)C)C)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)SC4=NC(=CC(=N4)C)C)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H19ClN6O3S/c1-4-34-21-10-19-17(9-20(21)31(32)33)23(15(11-26)12-27-19)30-16-5-6-22(18(25)8-16)35-24-28-13(2)7-14(3)29-24/h5-10,12H,4H2,1-3H3,(H,27,30)