N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C12H8BrN5O3S MolecularWeight: 382.19262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C12H8BrN5O3S/c1-17-5-8(18(20)21)10(16-17)11(19)15-12-14-7-3-2-6(13)4-9(7)22-12/h2-5H,1H3,(H,14,15,19)