4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-2-pyridin-2-yl-7-(thiomorpholin-3-ylmethyl)quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-2-pyridin-2-yl-7-(thiomorpholin-3-ylmethyl)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-2-(2-pyridyl)-7-(thiomorpholin-3-ylmethyl)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-2-(2-pyridinyl)-7-(3-thiomorpholinylmethyl)-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-2-pyridin-2-yl-7-(thiomorpholin-3-ylmethyl)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-2-(2-pyridyl)-7-(thiomorpholin-3-ylmethyl)quinoline-3-carbonitrile Formula: C30H26ClN7S2 MolecularWeight: 584.15734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C(=NC4=C3C=CC(=C4)CC5CSCCN5)C6=CC=CC=N6)C#N)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C(=NC4=C3C=CC(=C4)CC5CSCCN5)C6=CC=CC=N6)C#N)Cl

InChI

InChI=1S/C30H26ClN7S2/c1-38-12-10-35-30(38)40-27-8-6-20(16-24(27)31)36-28-22-7-5-19(14-21-18-39-13-11-33-21)15-26(22)37-29(23(28)17-32)25-4-2-3-9-34-25/h2-10,12,15-16,21,33H,11,13-14,18H2,1H3,(H,36,37)