N-[4-[2-(cyanomethyl)-1,3-thiazol-4-yl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[2-(cyanomethyl)-1,3-thiazol-4-yl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-(cyanomethyl)thiazol-4-yl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-(cyanomethyl)-4-thiazolyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-(cyanomethyl)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-(cyanomethyl)thiazol-4-yl]phenyl]-3-methyl-butyramide Formula: C16H17N3OS MolecularWeight: 299.39068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)CC#N

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)CC#N

InChI

InChI=1S/C16H17N3OS/c1-11(2)9-15(20)18-13-5-3-12(4-6-13)14-10-21-16(19-14)7-8-17/h3-6,10-11H,7,9H2,1-2H3,(H,18,20)