2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2-pyrimidyl)acetamide Formula: C13H9ClN4OS2 MolecularWeight: 336.81976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C1=CN=C(N=C1)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C13H9ClN4OS2/c14-8-2-3-10-9(6-8)17-13(21-10)20-7-11(19)18-12-15-4-1-5-16-12/h1-6H,7H2,(H,15,16,18,19)