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

Systemtic Name: 4-chloranyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: 4-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3,5-dinitro-benzamide CAS Name: 4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: 4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: 4-chloro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3,5-dinitro-benzamide Formula: C13H12ClN5O5S MolecularWeight: 385.78288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN5O5S/c1-6(2)3-10-16-17-13(25-10)15-12(20)7-4-8(18(21)22)11(14)9(5-7)19(23)24/h4-6H,3H2,1-2H3,(H,15,17,20)