4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(5-chloranylpyridin-2-yl)quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(5-chloranylpyridin-2-yl)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-(5-chloro-2-pyridyl)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-(5-chloro-2-pyridinyl)-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-(5-chloropyridin-2-yl)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-(5-chloro-2-pyridyl)quinoline-3-carbonitrile Formula: C25H16Cl2N6S MolecularWeight: 503.40574

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=NC=C(C=C5)Cl)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=NC=C(C=C5)Cl)Cl

InChI

InChI=1S/C25H16Cl2N6S/c1-33-9-8-29-25(33)34-23-7-4-18(11-20(23)27)32-24-16(12-28)13-30-22-10-15(2-5-19(22)24)21-6-3-17(26)14-31-21/h2-11,13-14H,1H3,(H,30,32)