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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(5-methanoylpyridin-2-yl)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-(5-formyl-2-pyridyl)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-(5-formyl-2-pyridinyl)-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-(5-formylpyridin-2-yl)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-(5-formyl-2-pyridyl)quinoline-3-carbonitrile Formula: C26H17ClN6OS MolecularWeight: 496.97078

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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)C=O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H17ClN6OS/c1-33-9-8-29-26(33)35-24-7-4-19(11-21(24)27)32-25-18(12-28)14-31-23-10-17(3-5-20(23)25)22-6-2-16(15-34)13-30-22/h2-11,13-15H,1H3,(H,31,32)