2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(4-phenylthiazol-2-yl)acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(4-phenyl-2-thiazolyl)acetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(4-phenylthiazol-2-yl)acetamide Formula: C13H9BrN6O3S MolecularWeight: 409.21796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C13H9BrN6O3S/c14-11-17-12(20(22)23)18-19(11)6-10(21)16-13-15-9(7-24-13)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16,21)