2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C13H18N6O3S MolecularWeight: 338.38542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=NN=C(S2)CC(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=NN=C(S2)CC(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N6O3S/c1-7(2)5-11-15-16-13(23-11)14-10(20)6-18-9(4)12(19(21)22)8(3)17-18/h7H,5-6H2,1-4H3,(H,14,16,20)