2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-methyl-pyridin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-methylpyridin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-methyl-2-pyridyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C17H11N7O3S2 MolecularWeight: 425.44434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1C#N)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])N)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1C#N)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C17H11N7O3S2/c1-8-10(5-18)15(20)23-16(11(8)6-19)28-7-14(25)22-17-21-12-3-2-9(24(26)27)4-13(12)29-17/h2-4H,7H2,1H3,(H2,20,23)(H,21,22,25)