4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-2-(furan-2-yl)-7-[(2-hydroxyethylamino)methyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-2-(furan-2-yl)-7-[(2-hydroxyethylamino)methyl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-2-(2-furyl)-7-[(2-hydroxyethylamino)methyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-2-(2-furanyl)-7-[(2-hydroxyethylamino)methyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-2-(furan-2-yl)-7-[(2-hydroxyethylamino)methyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-2-(2-furyl)-7-[(2-hydroxyethylamino)methyl]quinoline-3-carbonitrile Formula: C29H23ClN4O2S MolecularWeight: 527.03652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)NC3=C(C(=NC4=C3C=CC(=C4)CNCCO)C5=CC=CO5)C#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)NC3=C(C(=NC4=C3C=CC(=C4)CNCCO)C5=CC=CO5)C#N)Cl

InChI

InChI=1S/C29H23ClN4O2S/c30-24-16-20(9-11-27(24)37-21-5-2-1-3-6-21)33-28-22-10-8-19(18-32-12-13-35)15-25(22)34-29(23(28)17-31)26-7-4-14-36-26/h1-11,14-16,32,35H,12-13,18H2,(H,33,34)