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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3,5-dinitro-benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3,5-dinitro-benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3,5-dinitrobenzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-methyl-3,5-dinitro-benzamide Formula: C12H11N5O5S2 MolecularWeight: 369.37624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O5S2/c1-3-23-12-15-14-11(24-12)13-10(18)7-4-8(16(19)20)6(2)9(5-7)17(21)22/h4-5H,3H2,1-2H3,(H,13,14,18)