N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-chloranyl-5-nitro-benzamide Openeye Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-nitro-benzamide CAS Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-nitrobenzamide IUPAC Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-nitrobenzamide Traditional Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-nitro-benzamide Formula: C13H13ClN4O3S MolecularWeight: 340.78532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4O3S/c1-13(2,3)11-16-17-12(22-11)15-10(19)8-6-7(18(20)21)4-5-9(8)14/h4-6H,1-3H3,(H,15,17,19)