4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-7-ethoxy-6-nitro-2-phenylazanyl-quinoline-3-carbonitrile

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-7-ethoxy-6-nitro-2-phenylazanyl-quinoline-3-carbonitrile Openeye Name: 2-anilino-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-7-ethoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 2-anilino-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-7-ethoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 2-anilino-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-7-ethoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 2-anilino-4-[(4,6-dimethylpyrimidin-2-yl)thio]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Formula: C24H20N6O3S MolecularWeight: 472.519

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=C(C(=C2SC3=NC(=CC(=N3)C)C)C#N)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=C(C(=C2SC3=NC(=CC(=N3)C)C)C#N)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N6O3S/c1-4-33-21-12-19-17(11-20(21)30(31)32)22(34-24-26-14(2)10-15(3)27-24)18(13-25)23(29-19)28-16-8-6-5-7-9-16/h5-12H,4H2,1-3H3,(H,28,29)