N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: 4-methyl-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3S/c1-9-5-6-10(7-11(9)19(21)22)13(20)16-14-18-17-12(23-14)8-15(2,3)4/h5-7H,8H2,1-4H3,(H,16,18,20)