4,5-dimethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Formula: C14H16N4O6S2 MolecularWeight: 400.43004

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

COCCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C14H16N4O6S2/c1-22-4-5-25-14-17-16-13(26-14)15-12(19)8-6-10(23-2)11(24-3)7-9(8)18(20)21/h6-7H,4-5H2,1-3H3,(H,15,16,19)