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

Systemtic Name: 2-chloranyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[5-(1,1-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]-5-nitrobenzamide Traditional Name: N-(5-tert-amyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-nitro-benzamide Formula: C14H15ClN4O3S MolecularWeight: 354.8119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4O3S/c1-4-14(2,3)12-17-18-13(23-12)16-11(20)9-7-8(19(21)22)5-6-10(9)15/h5-7H,4H2,1-3H3,(H,16,18,20)