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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C11H7BrN6O3S MolecularWeight: 383.18068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C11H7BrN6O3S/c12-9-15-10(18(20)21)16-17(9)5-8(19)14-11-13-6-3-1-2-4-7(6)22-11/h1-4H,5H2,(H,13,14,19)