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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Formula: C13H14N4O5S2 MolecularWeight: 370.40406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O5S2/c1-4-23-13-16-15-12(24-13)14-11(18)7-5-9(21-2)10(22-3)6-8(7)17(19)20/h5-6H,4H2,1-3H3,(H,14,15,18)