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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C16H9N7O3S2 MolecularWeight: 411.41776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CSC3=C(C=C(C(=N3)N)C#N)C#N

InChI

InChI=1S/C16H9N7O3S2/c17-5-8-3-9(6-18)15(22-14(8)19)27-7-13(24)21-16-20-11-2-1-10(23(25)26)4-12(11)28-16/h1-4H,7H2,(H2,19,22)(H,20,21,24)