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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(4-morpholin-4-ylcarbonylphenyl)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-[4-(morpholine-4-carbonyl)phenyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[4-[4-morpholinyl(oxo)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[4-(morpholine-4-carbonyl)phenyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-[4-(morpholine-4-carbonyl)phenyl]quinoline-3-carbonitrile Formula: C31H25ClN6O2S MolecularWeight: 581.0872

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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=CC=C(C=C5)C(=O)N6CCOCC6)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC=C(C=C5)C(=O)N6CCOCC6)Cl

InChI

InChI=1S/C31H25ClN6O2S/c1-37-11-10-34-31(37)41-28-9-7-24(17-26(28)32)36-29-23(18-33)19-35-27-16-22(6-8-25(27)29)20-2-4-21(5-3-20)30(39)38-12-14-40-15-13-38/h2-11,16-17,19H,12-15H2,1H3,(H,35,36)