N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-4-(trifluoromethyl)benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-4-(trifluoromethyl)benzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-4-(trifluoromethyl)benzamide Formula: C21H13F3N4O3S MolecularWeight: 458.41313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H13F3N4O3S/c22-21(23,24)14-6-4-13(5-7-14)19(29)27(12-15-3-1-2-10-25-15)20-26-17-9-8-16(28(30)31)11-18(17)32-20/h1-11H,12H2