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

Systemtic Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-4-nitro-benzamide Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c1-14(2,3)8-11-16-17-13(22-11)15-12(19)9-4-6-10(7-5-9)18(20)21/h4-7H,8H2,1-3H3,(H,15,17,19)