(E)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)but-2-enamide

Systemtic Name: (E)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)but-2-enamide Openeye Name: (E)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)but-2-enamide CAS Name: (E)-N-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-2-butenamide IUPAC Name: (E)-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)but-2-enamide Traditional Name: (E)-N-[3-(methylthio)-1H-1,2,4-triazol-5-yl]but-2-enamide Formula: C7H10N4OS MolecularWeight: 198.2455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC1=NC(=NN1)SC

Isomeric SMILES

C/C=C/C(=O)NC1=NC(=NN1)SC

InChI

InChI=1S/C7H10N4OS/c1-3-4-5(12)8-6-9-7(13-2)11-10-6/h3-4H,1-2H3,(H2,8,9,10,11,12)/b4-3+