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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C17H12N6O2S2 MolecularWeight: 396.44618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

InChI

InChI=1S/C17H12N6O2S2/c1-25-11-2-3-12-13(5-11)27-17(21-12)22-14(24)8-26-16-10(7-19)4-9(6-18)15(20)23-16/h2-5H,8H2,1H3,(H2,20,23)(H,21,22,24)