4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-6-(thiazol-2-ylmethylamino)quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-6-(2-thiazolylmethylamino)-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-6-(thiazol-2-ylmethylamino)quinoline-3-carbonitrile Formula: C20H13ClFN5S MolecularWeight: 409.867123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C3C=C(C=CC3=NC=C2C#N)NCC4=NC=CS4)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=C3C=C(C=CC3=NC=C2C#N)NCC4=NC=CS4)Cl)F

InChI

InChI=1S/C20H13ClFN5S/c21-16-8-14(1-3-17(16)22)27-20-12(9-23)10-26-18-4-2-13(7-15(18)20)25-11-19-24-5-6-28-19/h1-8,10,25H,11H2,(H,26,27)