2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C25H20N6O2S2 MolecularWeight: 500.5953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=CC=C4)C#N

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H20N6O2S2/c1-3-19(23(32)31-25-29-18-10-9-15(33-2)11-20(18)35-25)34-24-17(13-27)21(14-7-5-4-6-8-14)16(12-26)22(28)30-24/h4-11,19H,3H2,1-2H3,(H2,28,30)(H,29,31,32)