6-azanyl-4-[[3-chloranyl-4-(4-sulfanylphenoxy)phenyl]amino]quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-4-[[3-chloranyl-4-(4-sulfanylphenoxy)phenyl]amino]quinoline-3-carbonitrile Openeye Name: 6-amino-4-[3-chloro-4-(4-sulfanylphenoxy)anilino]quinoline-3-carbonitrile CAS Name: 6-amino-4-[3-chloro-4-(4-mercaptophenoxy)anilino]-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-[3-chloro-4-(4-sulfanylphenoxy)anilino]quinoline-3-carbonitrile Traditional Name: 6-amino-4-[3-chloro-4-(4-mercaptophenoxy)anilino]quinoline-3-carbonitrile Formula: C22H15ClN4OS MolecularWeight: 418.8987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=C(C=C(C=C2)NC3=C4C=C(C=CC4=NC=C3C#N)N)Cl)S

Isomeric SMILES

C1=CC(=CC=C1OC2=C(C=C(C=C2)NC3=C4C=C(C=CC4=NC=C3C#N)N)Cl)S

InChI

InChI=1S/C22H15ClN4OS/c23-19-10-15(2-8-21(19)28-16-3-5-17(29)6-4-16)27-22-13(11-24)12-26-20-7-1-14(25)9-18(20)22/h1-10,12,29H,25H2,(H,26,27)