N-(2,1,3-benzothiadiazol-4-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-piazthiol-4-yl-acetamide Formula: C13H12N6O3S MolecularWeight: 332.33778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC3=NSN=C32)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC3=NSN=C32)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O3S/c1-7-13(19(21)22)8(2)18(15-7)6-11(20)14-9-4-3-5-10-12(9)17-23-16-10/h3-5H,6H2,1-2H3,(H,14,20)