2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Formula: C13H11BrN6O4S MolecularWeight: 427.23324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C13H11BrN6O4S/c1-2-24-7-3-4-8-9(5-7)25-13(15-8)16-10(21)6-19-11(14)17-12(18-19)20(22)23/h3-5H,2,6H2,1H3,(H,15,16,21)