N-[2-(2-chloranyl-5-nitro-phenyl)-3-ethanoyl-2H-1,3,4-thiadiazol-5-yl]ethanamide

Systemtic Name: N-[2-(2-chloranyl-5-nitro-phenyl)-3-ethanoyl-2H-1,3,4-thiadiazol-5-yl]ethanamide Openeye Name: N-[3-acetyl-2-(2-chloro-5-nitro-phenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide CAS Name: N-[3-acetyl-2-(2-chloro-5-nitrophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide IUPAC Name: N-[3-acetyl-2-(2-chloro-5-nitrophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide Traditional Name: N-[3-acetyl-2-(2-chloro-5-nitro-phenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide Formula: C12H11ClN4O4S MolecularWeight: 342.75814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(S1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)C

Isomeric SMILES

CC(=O)NC1=NN(C(S1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)C

InChI

InChI=1S/C12H11ClN4O4S/c1-6(18)14-12-15-16(7(2)19)11(22-12)9-5-8(17(20)21)3-4-10(9)13/h3-5,11H,1-2H3,(H,14,15,18)