(3,5-dimethyl-1,2-oxazol-4-yl)methyl carbamimidothioate hydrochloride

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (3,5-dimethyl-4-isoxazolyl)methyl ester hydrochloride IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl carbamimidothioate hydrochloride Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]isothiourea hydrochloride Formula: C7H12ClN3OS MolecularWeight: 221.70768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC(=N)N.Cl

Isomeric SMILES

CC1=C(C(=NO1)C)CSC(=N)N.Cl

InChI

InChI=1S/C7H11N3OS.ClH/c1-4-6(3-12-7(8)9)5(2)11-10-4;/h3H2,1-2H3,(H3,8,9);1H