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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3S/c1-5-15(3,4)13-17-18-14(23-13)16-12(20)10-7-6-9(2)11(8-10)19(21)22/h6-8H,5H2,1-4H3,(H,16,18,20)