methyl N-(2,1,3-benzoxadiazol-4-yl)-2-methyl-propanimidothioate

Systemtic Name: methyl N-(2,1,3-benzoxadiazol-4-yl)-2-methyl-propanimidothioate Openeye Name: methyl N-(2,1,3-benzoxadiazol-4-yl)-2-methyl-propanimidothioate CAS Name: N-(2,1,3-benzoxadiazol-4-yl)-2-methylpropanimidothioic acid methyl ester IUPAC Name: methyl N-(2,1,3-benzoxadiazol-4-yl)-2-methylpropanimidothioate Traditional Name: N-benzofurazan-4-yl-2-methyl-thiopropionimidic acid methyl ester Formula: C11H13N3OS MolecularWeight: 235.30542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=NC1=CC=CC2=NON=C21)SC

Isomeric SMILES

CC(C)C(=NC1=CC=CC2=NON=C21)SC

InChI

InChI=1S/C11H13N3OS/c1-7(2)11(16-3)12-8-5-4-6-9-10(8)14-15-13-9/h4-7H,1-3H3