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

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(2-hydroxyethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[5-[(2-hydroxyethylamino)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(2-hydroxyethylamino)methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[5-[(2-hydroxyethylamino)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(2-hydroxyethylamino)methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C29H23ClN4OS2 MolecularWeight: 543.10212

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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=CSC(=C5)CNCCO)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H23ClN4OS2/c30-26-14-22(7-9-28(26)37-23-4-2-1-3-5-23)34-29-21(15-31)16-33-27-13-19(6-8-25(27)29)20-12-24(36-18-20)17-32-10-11-35/h1-9,12-14,16,18,32,35H,10-11,17H2,(H,33,34)