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

Systemtic Name: 4-[[3-chloranyl-4-(4-methylpyrimidin-2-yl)sulfanyl-phenyl]amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(4-methylpyrimidin-2-yl)sulfanyl-anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(4-methyl-2-pyrimidinyl)thio]anilino]-7-ethoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(4-methylpyrimidin-2-yl)sulfanylanilino]-7-ethoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(4-methylpyrimidin-2-yl)thio]anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Formula: C23H17ClN6O3S MolecularWeight: 492.93748

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

InChI

InChI=1S/C23H17ClN6O3S/c1-3-33-20-10-18-16(9-19(20)30(31)32)22(14(11-25)12-27-18)29-15-4-5-21(17(24)8-15)34-23-26-7-6-13(2)28-23/h4-10,12H,3H2,1-2H3,(H,27,29)