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

Systemtic Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzamide Formula: C16H20N4O5S MolecularWeight: 380.4188

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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-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O5S/c1-16(2,3)8-13-18-19-15(26-13)17-14(21)9-6-11(24-4)12(25-5)7-10(9)20(22)23/h6-7H,8H2,1-5H3,(H,17,19,21)