3-[2-[(4-cyanophenyl)amino]-4-pyrimidin-4-yl-1,3-thiazol-5-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[(4-cyanophenyl)amino]-4-pyrimidin-4-yl-1,3-thiazol-5-yl]benzenecarbonitrile Openeye Name: 3-[2-(4-cyanoanilino)-4-pyrimidin-4-yl-thiazol-5-yl]benzonitrile CAS Name: 3-[2-(4-cyanoanilino)-4-(4-pyrimidinyl)-5-thiazolyl]benzonitrile IUPAC Name: 3-[2-(4-cyanoanilino)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]benzonitrile Traditional Name: 3-[2-(4-cyanoanilino)-4-(4-pyrimidyl)thiazol-5-yl]benzonitrile Formula: C21H12N6S MolecularWeight: 380.42518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=C(N=C(S2)NC3=CC=C(C=C3)C#N)C4=NC=NC=C4)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=C(N=C(S2)NC3=CC=C(C=C3)C#N)C4=NC=NC=C4)C#N

InChI

InChI=1S/C21H12N6S/c22-11-14-4-6-17(7-5-14)26-21-27-19(18-8-9-24-13-25-18)20(28-21)16-3-1-2-15(10-16)12-23/h1-10,13H,(H,26,27)