4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[5-[(2-hydroxyethylamino)methyl]-2-furyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(2-hydroxyethylamino)methyl]-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(2-hydroxyethylamino)methyl]-2-furyl]quinoline-3-carbonitrile Formula: C29H23ClN4O2S MolecularWeight: 527.03652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC=C(O5)CNCCO)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)NC3=C4C=CC(=CC4=NC=C3C#N)C5=CC=C(O5)CNCCO)Cl

InChI

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