2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C17H10F3N5O3S2 MolecularWeight: 453.41821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H10F3N5O3S2/c1-8-4-11(17(18,19)20)10(6-21)15(22-8)29-7-14(26)24-16-23-12-5-9(25(27)28)2-3-13(12)30-16/h2-5H,7H2,1H3,(H,23,24,26)