2-(3,5-dimethylimidazol-4-yl)ethanethioamide

Systemtic Name: 2-(3,5-dimethylimidazol-4-yl)ethanethioamide Openeye Name: 2-(3,5-dimethylimidazol-4-yl)thioacetamide CAS Name: 2-(3,5-dimethyl-4-imidazolyl)ethanethioamide IUPAC Name: 2-(3,5-dimethylimidazol-4-yl)ethanethioamide Traditional Name: 2-(3,5-dimethylimidazol-4-yl)thioacetamide Formula: C7H11N3S MolecularWeight: 169.24734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C=N1)C)CC(=S)N

Isomeric SMILES

CC1=C(N(C=N1)C)CC(=S)N

InChI

InChI=1S/C7H11N3S/c1-5-6(3-7(8)11)10(2)4-9-5/h4H,3H2,1-2H3,(H2,8,11)