N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,4-dinitro-benzamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,4-dinitro-benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,4-dinitro-benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2,4-dinitrobenzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2,4-dinitro-benzamide Formula: C11H9N5O5S2 MolecularWeight: 355.34966

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H9N5O5S2/c1-2-22-11-14-13-10(23-11)12-9(17)7-4-3-6(15(18)19)5-8(7)16(20)21/h3-5H,2H2,1H3,(H,12,13,17)