N-[4-[3-(cyanomethyl)-4-methoxy-phenyl]-1,3-thiazol-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[3-(cyanomethyl)-4-methoxy-phenyl]-1,3-thiazol-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[4-[3-(cyanomethyl)-4-methoxy-phenyl]thiazol-2-yl]-2-fluoro-benzamide CAS Name: N-[4-[3-(cyanomethyl)-4-methoxyphenyl]-2-thiazolyl]-2-fluorobenzamide IUPAC Name: N-[4-[3-(cyanomethyl)-4-methoxyphenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide Traditional Name: N-[4-[3-(cyanomethyl)-4-methoxy-phenyl]thiazol-2-yl]-2-fluoro-benzamide Formula: C19H14FN3O2S MolecularWeight: 367.396763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3F)CC#N

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3F)CC#N

InChI

InChI=1S/C19H14FN3O2S/c1-25-17-7-6-12(10-13(17)8-9-21)16-11-26-19(22-16)23-18(24)14-4-2-3-5-15(14)20/h2-7,10-11H,8H2,1H3,(H,22,23,24)