4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzenecarbonitrile

Systemtic Name: 4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzenecarbonitrile Openeye Name: 4-[3-[(4-thiazol-2-ylpyrimidin-2-yl)amino]phenyl]benzonitrile CAS Name: 4-[3-[[4-(2-thiazolyl)-2-pyrimidinyl]amino]phenyl]benzonitrile IUPAC Name: 4-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]benzonitrile Traditional Name: 4-[3-[(4-thiazol-2-ylpyrimidin-2-yl)amino]phenyl]benzonitrile Formula: C20H13N5S MolecularWeight: 355.41572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=NC=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=NC=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H13N5S/c21-13-14-4-6-15(7-5-14)16-2-1-3-17(12-16)24-20-23-9-8-18(25-20)19-22-10-11-26-19/h1-12H,(H,23,24,25)