(E)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]but-2-enamide

Systemtic Name: (E)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]but-2-enamide Openeye Name: (E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)but-2-enamide CAS Name: (E)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-2-butenamide IUPAC Name: (E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)but-2-enamide Traditional Name: (E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)but-2-enamide Formula: C13H13N3OS MolecularWeight: 259.32682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC1=NN=C(S1)CC2=CC=CC=C2

Isomeric SMILES

C/C=C/C(=O)NC1=NN=C(S1)CC2=CC=CC=C2

InChI

InChI=1S/C13H13N3OS/c1-2-6-11(17)14-13-16-15-12(18-13)9-10-7-4-3-5-8-10/h2-8H,9H2,1H3,(H,14,16,17)/b6-2+