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

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[3-[(2-hydroxyethylamino)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[3-[(2-hydroxyethylamino)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[3-[(2-hydroxyethylamino)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[3-[(2-hydroxyethylamino)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[3-[(2-hydroxyethylamino)methyl]phenyl]quinoline-3-carbonitrile Formula: C31H25ClN4OS MolecularWeight: 537.0744

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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=CC(=CC=C5)CNCCO)Cl

Isomeric SMILES

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

InChI

InChI=1S/C31H25ClN4OS/c32-28-17-25(10-12-30(28)38-26-7-2-1-3-8-26)36-31-24(18-33)20-35-29-16-23(9-11-27(29)31)22-6-4-5-21(15-22)19-34-13-14-37/h1-12,15-17,20,34,37H,13-14,19H2,(H,35,36)