N-(2,1,3-benzothiadiazol-4-yl)-2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-[(5-cyano-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(5-cyano-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]-N-piazthiol-4-yl-acetamide Formula: C17H14N6OS2 MolecularWeight: 382.46266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC3=CC=CC4=NSN=C43)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC3=CC=CC4=NSN=C43)C#N

InChI

InChI=1S/C17H14N6OS2/c1-9-11(7-18)17(21-16(19-9)10-5-6-10)25-8-14(24)20-12-3-2-4-13-15(12)23-26-22-13/h2-4,10H,5-6,8H2,1H3,(H,20,24)